####################################################################################
#                                                                                  #
#          Gaussian all-electron basis sets for excited-state calculations         #
#                               like TDDFT, GW, GW+BSE                             #
#                                                                                  #
# ##################################################################################
#                                                                                  #
#  Generation recipe: use existing basis set (e.g. STO-6G, or Jürg's               #
#  SZV-MOLOPT-GGA-ae, TZVPP-MOLOPT-GGA-ae) and add for each ℓ, 0 ≤ ℓ ≤ ℓ_max + 1   #
#  one contracted Gaussian.                                                        #
#                                                                                  #
#  Example: Carbon STO-6G: 2x s, 1x p;                                             #
#           aug-SZV-MOLOPT-ae = STO-6G + 1x s + 1x p + 1x d = 3x s + 2x p + 1x d   #
#                                                                                  #
#  Optimize contraction coefficients of added Gaussian for molecular set to get    #
#  GW+BSE excitation energies (5 lowest) in good agreement with aug-cc-5ZVP.       #
#  In this way, Gaussian exponents for empty molecular orbitals are optimized.     #
#  This also means that the convergence of the total energy is expected to be of   #
#  similar quality as the original, unaugmented basis set.                         #
#  Also, the condition number is optimized to prevent issues regarding SCF         #
#  convergence of large molecules and solids.                                      #
#                                                                                  #
#  Corresponding RI basis sets in BASIS_RI_AUG_MOLOPT                              #
#                                                                                  #
#  Contact: Jan Wilhelm, jan.wilhelm@ur.de                                         #
#                                                                                  #
####################################################################################

H  aug-SZV-MOLOPT-ae-SR
                1
2 0 1 4 3 1
 0.0654284286  0.0000000000 -0.6121238451  3.0262809744  0.5859881132
 0.1688554040  0.4446345422  1.1762871789 -2.0322170890 -0.1029772065
 0.6239137298  0.5353281423  0.1373952735 -0.0195388621  0.0413342776
 3.4252509140  0.1543289673 -0.0105292005  0.0051176050  0.0014909234

H  aug-SZV-MOLOPT-ae aug-SZV-MOLOPT-ae-mini
       1
1 0 1 7 3 1
 0.0654284286  0.0000000000  4.8518572723  1.7460762690  0.4762021876
 0.1001124280  0.1303340841  0.4054347007 -5.7363906541 -0.1110297174
 0.2430767471  0.4164915298  0.0547707665 -0.3296656157  0.0000500489
 0.6259552659  0.3705627997  0.1436562367  0.1098876093  0.0083992741
 1.8221429040  0.1685383049  0.0000000000  0.0000000000  0.0000000000
 6.5131437250  0.0493614929  0.0000000000  0.0000000000  0.0000000000
35.5232212200  0.0091635963  0.0000000000  0.0000000000  0.0000000000

H aug-DZVP-MOLOPT-ae
          1
 2 0 1 5 3 2
 0.0350000000  0.0000000000  0.0000000000  1.5855645006  0.0000000000  3.1718890446
 0.1119200649  0.0912230399  0.9812902240 -1.4947567450  0.0998895850  3.1905343582
 0.3749477190  0.8272484291  0.0201024169 -0.0011121796  0.8564017401  0.4114908553
 1.4466857212  0.5468013574 -0.1892389601 -0.0000549253  0.5056746863  0.0950521878
12.2488548993  0.0913601066 -0.0292233654  0.0000000000 -0.0298536766  0.0000000000

H aug-TZVP-MOLOPT-ae
       1
 1 0 2 6 4 3 2
 0.0300000000  0.0000000000  0.0000000000  0.0000000000  2.0258710407  0.0000000000  0.0000000000  0.0970830362  0.0000000000  6.5630285014
 0.0913712967 -0.3054756125 -0.3546066438  0.8687044199 -0.5273893067  0.1319415553 -0.1669584308  0.0382241597 -0.2014354514  1.7984235306
 0.2938232714 -0.1333075683  0.8191657707  0.3660688691 -2.0715136004 -0.0264980945  0.9798936191 -0.0105147049  0.2876554085  3.4489353638
 1.0651266252  0.8147170822  0.2114402980  0.2965452503 -0.2469414580  0.9764728153  0.0634720246  0.0019320597  0.9351752518  1.0204239506
 4.9477013052 -0.0838132980  0.2286563565 -0.0228133786  0.0000000000  0.1355700074 -0.0478523017  0.0000000000 -0.0442398661  0.0000000000
34.1777383267 -0.4670387023  0.3259307277 -0.1512834368  0.0000000000 -0.1000544401  0.0749322157  0.0000000000  0.0129694887  0.0000000000

He  aug-SZV-MOLOPT-ae-mini
1
1 0 0 4 2
 6.362421  0.154329  0.000000
 1.158923  0.535328  0.000000
 0.313650  0.444635 -0.048302
 0.100000  0.000000  0.100000

He aug-SZV-MOLOPT-ae
      1
1 0 1 7 2 1
 0.0900000000  0.0000000000  4.4293715057  2.1836712149
 0.1859593559  0.1303340841 -0.2290423993 -0.8562791713
 0.4515163224  0.4164915298  0.0930487909 -0.0156208776
 1.1627151630  0.3705627997  0.1736420394  0.0459700919
 3.3846399240  0.1685383049  0.0000000000  0.0000000000
12.0981983600  0.0493614929  0.0000000000  0.0000000000
65.9845682400  0.0091635963  0.0000000000  0.0000000000

He aug-DZVP-MOLOPT-ae
      1
1 0 2 6 3 2 1
 0.0600000000  0.0000000000  0.0000000000  0.7451417019  0.0000000000 -0.6542918815 -0.0547021563
 0.1100000000  0.0000000000  0.0000000000  1.3744768625  0.0000000000  0.0256981018  0.3297718367
 0.2173213884  0.5782023719  0.8151951836  0.1000000000  0.1568367211  0.1000000000  0.1000000000
 0.8734876729  0.7433045619 -0.5280858156  0.1000000000  0.9834255335  0.1000000000  0.1000000000
 4.1855207572  0.3333219103 -0.2265541188  0.0000000000  0.0214030586  0.0000000000  0.0000000000
38.8374621458  0.0455724632 -0.0724942437  0.0000000000  0.0884215583  0.0000000000  0.0000000000

 He aug-TZVP-MOLOPT-ae
      2
1 0 0 3 1
98.1198004493  0.0844705027
14.4344169548  0.7647049216
 3.8685551227  0.6388200975
1 0 3 5 3 3 2 1
 0.0500000000  0.0000000000  0.0000000000 -0.3076584992  0.0000000000  0.0000000000  0.0589100209  0.0000000000 -0.6317274164  0.0256905338
 0.1000000000  0.0000000000  0.0000000000  0.1000000000  0.0000000000  0.0000000000  0.1000000000  0.0000000000  0.1000000000  0.1000000000
 0.1975671458  0.6200584463  0.7411594443  0.1000000000 -0.0310373782 -0.0037213031  0.1000000000 -0.2623968370  0.1000000000  0.1000000000
 0.7002862206  0.6929517363 -0.6711613281  0.1000000000 -0.2181684033  0.9759060817  0.1000000000  0.4804099048  0.1000000000  0.1000000000
 2.5250666250  0.3678932106  0.0150049907  0.0000000000  0.9754174639  0.2181592805  0.0000000000  0.8368716887  0.0000000000  0.0000000000

Li  aug-SZV-MOLOPT-ae-mini
2
1 0 0 3 1
16.119575  0.154329
 2.936201  0.535328
 0.794650  0.444635
1 0 1 3 2 2
 0.636290 -0.099967  0.108176  0.155916 -0.016796
 0.147860  0.399513 -0.153866  0.607684 -0.290451
 0.048089  0.700115  0.392032  0.391957  1.851173

Li aug-SZV-MOLOPT-ae
   2
1 0 0 6 1
167.1758462000  0.0091635963
30.6515084000  0.0493614929
 8.5751874770  0.1685383049
 2.9458083370  0.3705627997
 1.1439435810  0.4164915298
 0.4711391391  0.1303340841
1 0 2 6 2 2 1
 0.0310841655  0.2407061763 841.4808406515  0.1017082955 -0.2617892123  0.2123835169
 0.0678141039  0.5951172526 -1.4881646881  0.4258595477  5.3360680252  0.7340682323
 0.1561455158  0.2502417861 -1.2129755307  0.4180364347 -0.0298674695  0.9541019748
 0.4058510193 -0.0337853715  0.1000000000  0.1738967435  0.1000000000  0.1000000000
 1.3058300920 -0.0469917101  0.1000000000  0.0376793698  0.1000000000  0.1000000000
 6.5975639810 -0.0132527881  0.0000000000  0.0037596966  0.0000000000  0.0000000000

Li aug-DZVP-MOLOPT-ae
   2
1 0 0 7 3
266.1271733101  0.0115472984  0.0193215660 -0.0102953256
30.7910850714  0.1114394675 -0.1772028279  0.0565328984
 6.5139091364  0.4052972266  0.3355143256 -0.2243398081
 1.8227955668  0.7281716523 -0.2959606139 -0.1036569416
 0.5634250596  0.4477542617 -0.0049493017 -0.2445662438
 0.0747448583  0.2730519552  0.6557856151  0.6652513020
 0.0248399575  0.1338165115 -0.5813639296  0.6582195562
1 0 2 5 1 3 1
 0.0290000000 33.1240661320  0.0000000000  0.0000000000 -0.7065857827  0.1395581484
 0.0487937870 -25.9615637459  0.6995661386  0.7110051030 -0.3475037266  7.5724307222
 0.1000000000 -4.3650852379  0.0000000000  0.0000000000  0.0070442507  2.8842605757
 0.2233687471  1.1678848990  0.6985426271 -0.6594641649  0.1705931668  3.8539506230
 1.2131899705  0.1950713659  0.1504839389 -0.2440876046  0.0845467366  0.2524322535

Li aug-TZVP-MOLOPT-ae
   2
1 0 0 6 1
6269.0590244507  0.0004941547
940.4192540419  0.0037270767
214.0892146540  0.0195145274
60.7255188331  0.0819883917
18.0867418090  0.3308489759
 5.6570397702  0.9399052648
1 0 3 5 5 4 2 1
 0.0246459829 -0.5409241391  0.2156716534  0.6628716603  0.0761610306 26.1820119494  0.0280256804 -0.7995981208  0.0236644403 -1.5436418075 -0.0769933189 -0.2481445219 -1.4392819232
 0.0710066330  0.6671555626  0.3516968956  0.4261742469  0.4938445245 -2.7539856093 -0.0080446374 -0.4565129932  0.6224360145  1.9351649616  0.4929539682 375.9521363182  2.0486683652
 0.2376356008 -0.2942383082  0.1398816792  0.3405047015 -0.1294126428 -6.4153637812  0.1563400477  0.3695978006  0.7582882747  0.4414535852  0.8517306304  0.1000000000 -0.1419167660
 0.6809275175  0.3130964907  0.4491385200  0.1114122401 -0.8188863765  0.4743857879 -0.6557246079  0.1149493998  0.1917506095  0.1005480810  0.1479998982 -1.0186770890 -0.0623825112
 1.9335581508 -0.2787452898  0.7800658544 -0.5006201496  0.2509871575  0.1142672061  0.7380602097  0.0492222880  0.0156204441  0.0917619643 -0.0609866990 -1.0661137560  0.0228767679

Be  aug-SZV-MOLOPT-ae-mini
2
1 0 0 3 1
30.167871  0.154329
 5.495115  0.535328
 1.487193  0.444635
1 0 1 4 2 2
 0.060000  0.000000  0.425161  0.000000  0.424289
 1.314833 -0.099967  0.000000  0.155916  0.000000
 0.305539  0.399513 -0.007629  0.607684  0.134533
 0.099371  0.700115 -0.411968  0.391957  0.808237

Be aug-SZV-MOLOPT-ae
   2
1 0 0 6 1
312.8704937000  0.0091635963
57.3644625300  0.0493614929
16.0485094000  0.1685383049
 5.5130961190  0.3705627997
 2.1408965530  0.4164915298
 0.8817394283  0.1303340841
1 0 2 6 2 2 1
 0.0642325139  0.2407061763 47.5954564289  0.1017082955 28.5226819778 -1.0535406135
 0.1401314882  0.5951172526 -13.6753929206  0.4258595477  3.4619842149  1.5818759673
 0.3226600698  0.2502417861 -3.3249481442  0.4180364347 -0.4060033296  1.7566787991
 0.8386530829 -0.0337853715  0.2891014569  0.1738967435 -0.1322741769 -0.3982391682
 2.6983754640 -0.0469917101  0.0000000000  0.0376793698  0.0000000000  0.0000000000
13.6332474400 -0.0132527881  0.0000000000  0.0037596966  0.0000000000  0.0000000000

Be aug-DZVP-MOLOPT-ae
   2
1 0 0 6 1
4700.3794939563  0.0014317183
704.8959080327  0.0100005815
160.5642681992  0.0541233647
45.2938736777  0.2083389648
14.6562533825  0.6142948686
 6.0018475223  0.7590818731
1 0 3 6 5 4 2 1
 0.0350000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000  4.3362915878  0.0000000000  0.0000000000  0.0000000000 44.7540989325  0.0000000000 -0.0383063112 -14.8914763855
 0.0582294846  0.0755357248  0.3320268455  0.0787386131  0.9340441594 -3.3650325551 -0.0317627873  0.5914112101  0.4771806410 -26.3146105324  0.0731554672 117.6909824621  0.4779658920
 0.1801955758  0.2649920658  0.4809919031  0.7908753344 -0.2512799692 -0.5247553448 -0.5606899431  0.0460609203  0.6314363670 -0.5814503175  0.4389335131  0.5147093359  1.0651233700
 0.5041705211 -0.2306985064  0.8037639859 -0.4683567802 -0.2397563771  1.2595584694 -0.8206838623  0.0007882178 -0.4722492656  1.7180339748  0.8849999108 -0.6225997747  0.1018944555
 1.3277113845  0.5986408657  0.1035257266 -0.3524624919  0.0005748321  0.0682312825 -0.0806018296  0.1095669188 -0.0897191230  0.0468909873 -0.1301072694 -0.3808291716  0.1000201206
 3.2158212649  0.7158776938 -0.0406305522 -0.1572531540 -0.0832852609  0.0000000000 -0.0678178171 -0.7975623118  0.3775153776  0.0000000000  0.0428124389  0.0000000000  0.0000000000

Be aug-TZVP-MOLOPT-ae
   2
1 0 0 8 1
29646.6824043324  0.0011392066
4428.6899339140  0.0013772807
1005.5713850857  0.0362165902
284.1531727902  0.0687961260
92.6356324191  0.4817311200
33.2443682910  0.1501887065
13.0256383912  0.5821513912
 5.4041432326  0.6327957768
1 0 4 7 7 5 3 2 1
 0.0419999184 -0.2524067132  0.4071286555 -0.2241996883  0.4290764455 -0.1170168848  0.4601810194 -0.1517354458  0.1567150213 -0.0024869362  0.0711154971  0.9709311440  1.6957537963 -0.2144072314  0.3537605951  0.0348884659 -0.1044987968 26.1794175073 -0.0241472700
 0.0650000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000  0.3536463286  0.0000000000  0.0000000000  0.0000000000  0.0000000000 -1.5180340000  0.0000000000  0.0000000000 18.9742834041  0.0000000000 -5.6804669906 12.4557037559
 0.1143627501 -0.0649174567  0.2018143501  0.3505532805  0.2890177369  0.8168577118  0.1712377349 -0.2720891882  0.1071898565  0.1051760505  0.9280790775 -0.0505966356 -0.2062059891  0.0510966226  0.5226677008  0.1000000000  0.2041952973  0.1000000000  0.1000000000
 0.2898725023  0.0119036610  0.1299746286  0.2127094938  0.4840147194 -0.0527674414 -0.7932510457  0.1000000000  0.8887357090  0.0016756103 -0.0230247886 -0.1706951957  0.1000000000  0.9497660573  0.2084312865  0.1000000000  0.9705561484  0.1000000000  0.1000000000
 0.8981088969  0.0113590226 -0.2809736421  0.8356277624  0.0269859309 -0.2959764931  0.2899008319  0.1000000000  0.3722821763 -0.1502868307 -0.0672799078 -0.0044154625  0.1000000000 -0.1668309891  0.7151051664  0.1000000000 -0.0593532490  0.1000000000  0.1000000000
 2.3584085804 -0.1180137196  0.8032073006  0.2830027716 -0.3376161278 -0.2685757216 -0.0713160552  0.0000000000  0.0238853738 -0.1412713040  0.0502583754 -0.1476540165  0.0000000000 -0.0689453976  0.0371755203  0.0000000000  0.0405080998  0.0000000000  0.0000000000
 6.7281348358  0.9388560397  0.2054762600 -0.0237776913  0.2051975636 -0.0831223701  0.1584061768  0.0000000000  0.0399184394  0.9717970000 -0.0875047119 -0.0166116770  0.0000000000  0.1198991115 -0.1750178334  0.0000000000 -0.0155015457  0.0000000000  0.0000000000
23.1152907807  0.1908610730  0.1015636414  0.0516900764 -0.5841857348  0.3868097638 -0.1242692924  0.0000000000  0.1825967268  0.0446753158 -0.3440524760  0.0591497380  0.0000000000  0.0490027241 -0.1218181201  0.0000000000 -0.0010161611  0.0000000000  0.0000000000

B   aug-SZV-MOLOPT-ae-mini
2
1 0 0 3 1
48.791113  0.154329
 8.887362  0.535328
 2.405267  0.444635
1 0 1 3 2 2
 2.236956 -0.099967  0.000000  0.155916  0.000000
 0.519820  0.399513  0.496357  0.607684 -0.017072
 0.169062  0.700115 -2.202360  0.391957  0.128454

B aug-SZV-MOLOPT-ae
   2
1 0 0 6 1
506.0118369000  0.0091635963
92.7767163900  0.0493614929
25.9555819000  0.1685383049
 8.9164429080  0.3705627997
 3.4625157030  0.4164915298
 1.4260551790  0.1303340841
1 0 2 7 2 2 1
 0.1092802694  0.2407061763 -0.2592469029  0.1017082955  7.0610069309  0.3132869014
 0.1556125122  0.0000000000 -0.4853190403  0.0000000000  2.6016498514  0.3460611825
 0.2384089591  0.5951172526 -0.0743704043  0.4258595477  0.6548939957  8.8783714568
 0.5489490791  0.2502417861  0.0891526547  0.4180364347 -0.0460835230  1.7922489555
 1.4268199900 -0.0337853715  0.1017844768  0.1738967435  0.1000000000  0.1000000000
 4.5908089180 -0.0469917101  0.0000000000  0.0376793698  0.0000000000  0.0000000000
23.1945608700 -0.0132527881  0.0000000000  0.0037596966  0.0000000000  0.0000000000

B aug-DZVP-MOLOPT-ae
   2
1 0 0 7 3
839.3245615442 -0.0080847645  0.0005422936 -0.0113144893
126.1746427745 -0.0641169921 -0.0051256338  0.0023041262
28.3395319832 -0.2911096305 -0.0228967092 -0.0699056120
 7.3291114055 -0.7262498945 -0.1083946961 -0.0867168158
 2.2080310543 -0.5688846214 -0.2268612073 -0.0276166553
 0.4102091621 -0.1158082247  0.7752186386 -0.6086104986
 0.1516936553 -0.2158672377  0.5790248866  0.7850418167
2 0 3 5 1 3 2 1
 0.0821337246 100.7868228628 -0.1076962764  0.8205748114  0.1120996816  0.0244660230  8.6117271507 -0.0967927040
 0.1400000000 39.2653760587  0.0000000000  0.0000000000  0.1787217018  0.0000000000 -5.0823174766  0.7655483292
 0.2796253694 -14.4670200146 -0.7241727082  0.3203421510 -0.0523840289  0.7914185893 -0.2427469590  0.4459981326
 0.8812736494  4.3818493077 -0.6637549962 -0.4702758721  0.0961474587  0.6106035520 -0.8617639112  0.0682379350
 4.5108731550  0.0000000000 -0.1529859660 -0.0536515555  0.0000000000 -0.0148772524  0.0000000000  0.0000000000

B aug-TZVP-MOLOPT-ae
   2
1 0 0 6 1
8564.8053100615  0.0010072367
1284.2661480362  0.0092136407
292.3178518948  0.0421623259
82.7730887831  0.1900498927
26.9556804792  0.3417027010
 9.9374367410  0.9193784504
1 0 4 8 5 4 3 2 1
 0.0370000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000 55.3338990903  0.0000000000  0.0000000000  0.0000000000  0.1096311695  0.0000000000  0.0000000000  6.6803134007  0.0000000000 32.1764083675  3.2808280699
 0.0550000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000 -48.4691538709  0.0000000000  0.0000000000  0.0000000000 -3.4404130068  0.0000000000  0.0000000000 32.6448260039  0.0000000000 16.3021394882  1.2917307351
 0.0815272251  0.0557262540  0.2653318991  0.0348720677  0.8571885061  0.9165077076  0.0391891362 -0.0433350732  0.9638828514 -1.9367829356  0.1351778513 -0.1179876600  3.0932390722 -0.2251087218  1.5584522603 13.9541021212
 0.2310372964  0.0261803130  0.4013706166  0.8804655540 -0.0353599118 -0.9104650119  0.0505730432  0.9774385753  0.0498211935 -0.4667070076  0.1151133138  0.7846345069 -1.8191119003  0.4157838191 -0.8999999845  0.2539074166
 0.6270021536 -0.0919390082  0.8570644254 -0.3569472524 -0.3236116152  1.1000000000  0.8425844803  0.0511685957  0.0103196757  0.2969723024  0.6852887032  0.3758824077  0.1000000000  0.8683067908  0.1000000000  0.1000000000
 1.6764998648  0.5071365685  0.1598032728 -0.2512960200  0.2278516371  0.1000000000  0.4751784249 -0.1046401502 -0.1601868635  0.1000000000  0.6502773741 -0.3983581236  0.1000000000  0.1488913094  0.1000000000  0.1000000000
 4.3122397808  0.8405773237 -0.0472404658  0.1095448546 -0.2642753389  0.0000000000  0.2252514981 -0.1668399004  0.1706356490  0.0000000000 -0.0990163264  0.0744259965  0.0000000000 -0.0087955302  0.0000000000  0.0000000000
22.2305703415  0.1549150039  0.0785648431 -0.1449249508  0.1936368788  0.0000000000  0.0970834670 -0.0365043062 -0.1164682183  0.0000000000 -0.2572748931  0.2547775394  0.0000000000  0.0157230021  0.0000000000  0.0000000000

C aug-SZV-MOLOPT-ae-mini
             2
1 0 0 3 1
71.616837  0.154328
13.045096  0.535328
 3.530512  0.444634
2 0 1 4 2 2
 0.114558  0.000000  0.007396  0.000000 -1.198512
 0.222289  0.700115  4.245800  0.391957 -2.375477
 0.683483  0.399512 -0.564612  0.607683  0.392187
 2.941249 -0.099967  0.000076  0.155916 -0.021796

C aug-SZV-MOLOPT-ae-SR
             2
1 0 0 3 1
71.6168373500  0.1543289673
13.0450963200  0.5353281423
 3.5305121600  0.4446345422
2 0 2 4 2 2 1
 0.1145589556  0.0000000000  1.6412690153  0.0000000000  0.8118208262  0.0265392317
 0.2222899159  0.7001154689  1.6673597185  0.3919573931 -0.8624489777  0.2004431968
 0.6834830964  0.3995128261 -0.4671568771  0.6076837186  0.3562150386  0.0338150090
 2.9412493550 -0.0999672292  0.0762641339  0.1559162750 -0.0217965090  0.0080566675

C aug-SZV-MOLOPT-ae
       2
1 0 0 6 1
742.7370491000  0.0091635963
136.1800249000  0.0493614929
38.0982635200  0.1685383049
13.0877817700  0.3705627997
 5.0823686480  0.4164915298
 2.0932000760  0.1303340841
2 0 2 7 2 2 1
 0.0700000000  0.0000000000 -31.0508367897  0.0000000000  0.2937293827  0.1719481523
 0.1436865550  0.2407061763 36.7581045007  0.1017082955 -0.1345492048  0.1430377417
 0.3134706954  0.5951172526  0.7345263743  0.4258595477  0.0060291647  0.3613800232
 0.7217826470  0.2502417861  6.6754807070  0.4180364347  0.0269902600  0.0539889547
 1.8760463370 -0.0337853715  0.0000000000  0.1738967435  0.0000000000  0.0000000000
 6.0361996010 -0.0469917101  0.0000000000  0.0376793698  0.0000000000  0.0000000000
30.4972395000 -0.0132527881  0.0000000000  0.0037596966  0.0000000000  0.0000000000

C aug-DZVP-MOLOPT-ae
          2
 2 1 3 5 3 2 1
 0.0500000000  0.0000000000  0.0000000000  0.1514233095  0.0000000000 -0.0599374280 -0.0024471348
 0.0969351383  0.0978783169  0.8999216021 -0.1886970750  0.0587211441  0.0926836412  0.0250527487
 0.3008993035  0.6405987503  0.2697628553 -0.0096285546  0.6782703967 -0.0573691781  0.0009607143
 0.9375293179  0.7232069932 -0.3268942834  0.0078780276  0.7309582890  0.0000000000  0.0000000000
 4.1455455881  0.2387984948 -0.1025145822  0.0000000000  0.0469156264  0.0000000000  0.0000000000
 1 0 0 8 4
 0.0600000000  0.0000000000  0.0000000000  0.0000000000 -0.7331945652
 0.1612781387  0.1940248436  0.5693922643  0.7962287064 -0.1230476831
 0.5237720813 -0.0967834490  0.8188434491 -0.5581181566  1.2977958241
 3.1765280065  0.5702050949 -0.0602785487 -0.1163022832  0.0451298354
10.5019071219  0.7366144169 -0.0103553210 -0.1500590039  0.0000000000
40.8052342714  0.2827297127  0.0391219183 -0.1209099414  0.0000000000
186.2709216006  0.0727577956 -0.0038701481  0.0312678869  0.0000000000
1238.3942641918 -0.0047840654  0.0012714691 -0.0536949721  0.0000000000

C aug-TZVP-MOLOPT-ae
       2
 1 0 0 6 1
13575.3695840558  0.0004581480
2035.2375173836  0.0121337901
463.1111119538  0.0394772660
131.3185534395  0.2276754329
42.8995928257  0.1839990920
15.8551015427  0.9553022234
 1 0 4 7 5 4 3 2 1
 0.0400000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000  0.0886059507  0.0000000000  0.0000000000  0.0000000000  0.0868143189  0.0000000000  0.0000000000 16.1862935886  0.0000000000  0.0953891089  0.0337725219
 0.0970979540  0.2230191333  0.3147740253  0.3650740924  0.7590437608 -0.0767526617  0.0869042001  0.0993832585  0.9693874735 -0.0244385340  0.0699530662  0.0484439079 -1.7733277366 -0.1269546713  0.2123895756  0.3489996998
 0.2839595499  0.1423037770  0.4592334258  0.5883112619 -0.6151668886 -0.0258695689  0.1437855067  0.9462500307 -0.0539147063 -0.0234306520  0.1171793430  0.8448457226  2.9308087960  0.5987276268 -1.1884105730  0.0522391167
 0.8067639380  0.0087269024  0.8010775477 -0.4009101087  0.0751099750  0.0028130180  0.9434732002 -0.1643951372 -0.0593836314 -0.0012829183  0.6649778334  0.3148369094  0.0465312095  0.7817904329  0.0010416462 -0.0022314985
 2.4416242886  0.4595935911 -0.1006552796 -0.1376535116 -0.0193557517  0.0000000000  0.2110516844  0.1991601364 -0.1817726369  0.0000000000  0.6589196437 -0.3515818093  0.0000000000  0.1160472723  0.0000000000  0.0000000000
 6.7396733185  0.8429487603 -0.1298492050 -0.0544525843 -0.0671931414  0.0000000000  0.1912776339 -0.1669154568  0.1051423888  0.0000000000  0.1258403216 -0.1042820754  0.0000000000 -0.0231687139  0.0000000000  0.0000000000
34.4172115061  0.0902610707  0.1459603878 -0.5813503915 -0.1867918537  0.0000000000  0.0224000415  0.0135113514 -0.0987851280  0.0000000000  0.2986120690 -0.2242366906  0.0000000000  0.0144118218  0.0000000000  0.0000000000

N aug-SZV-MOLOPT-ae-mini
       2
1 0 0 3 1
99.106168  0.154328
18.052312  0.535328
 4.885660  0.444634
1 0 1 4 2 2
 0.112012  0.000000 -1.243414  0.000000  1.251895
 0.285714  0.700115  0.885647  0.391957 -0.072365
 0.878496  0.399512  0.113448  0.607683  0.000160
 3.780455 -0.099967 -0.000068  0.155916  0.000002

N aug-SZV-MOLOPT-ae-SR
       2
1 0 0 3 1
99.1061689600  0.1543289673
18.0523123900  0.5353281423
 4.8856602380  0.4446345422
1 0 2 4 2 2 1
 0.1120121090  0.0000000000  0.0382351420  0.0000000000  0.0399584300 -0.0010061836
 0.2857143744  0.7001154689 -0.0428941139  0.3919573931 -0.0250359457  0.0999980758
 0.8784966449  0.3995128261 -0.0458813693  0.6076837186  0.0016038481 -0.0033697752
 3.7804558790 -0.0999672292 -0.0000681417  0.1559162750  0.0000279747  0.0106305030

N aug-SZV-MOLOPT-ae
       2
1 0 0 6 1
1027.8284580000  0.0091635963
188.4512226000  0.0493614929
52.7218609700  0.1685383049
18.1113821700  0.3705627997
 7.0331796910  0.4164915298
 2.8966517940  0.1303340841
1 0 2 7 2 2 1
 0.0900000000  0.0000000000 -155.7296559966  0.0000000000 -0.0840929047 -0.0966051188
 0.1846836552  0.2407061763 61.8126687524  0.1017082955 -0.0859046913 -0.1314988330
 0.4029111410  0.5951172526 -69.8698010234  0.4258595477  0.0449394729  0.0681453767
 0.9277239437  0.2502417861 -5.5545900093  0.4180364347  0.1507962030 -0.1191458075
 2.4113257830 -0.0337853715  0.0000000000  0.1738967435  0.0000000000  0.0000000000
 7.7584670710 -0.0469917101  0.0000000000  0.0376793698  0.0000000000  0.0000000000
39.1988078700 -0.0132527881  0.0000000000  0.0037596966  0.0000000000  0.0000000000

N aug-DZVP-MOLOPT-ae
       2
 1 0 0 7 3
 0.1910119193 -0.0184068349  0.4972632231  0.8673615424
 0.6666291294  0.0360183764  0.8648893334 -0.4945089009
 4.4034873340 -0.5815522532  0.0054638531 -0.0200461138
14.6513802578 -0.7560955608  0.0001027085 -0.0106274937
57.6920264439 -0.2910568862  0.0669817373 -0.0503673509
257.9975536030 -0.0607027610 -0.0129122509  0.0096188478
1713.0544334223 -0.0090226711  0.0035474402 -0.0008480145
 2 0 3 5 1 3 2 1
 0.0600000000 -0.1120884169  0.0000000000  0.0000000000 25.2361005283  0.0000000000 -0.0751575363  0.2417283251
 0.1663837891  0.0202608714 -0.2876972196  0.9571313461 15.5927217363  0.3333865030 -0.0435112317  4.5797330690
 0.6340732214 -0.0110162149 -0.8341822980 -0.2338577857 -2.1391301532  0.9182613046 -0.0085830293  5.8592811441
 2.3253539316  0.0000000000 -0.4601868599 -0.1689102786  0.0000000000  0.2136212484  0.0000000000  1.6180339740
12.2681736535  0.0000000000 -0.0979706977 -0.0260660726  0.0000000000 -0.0039469306  0.0000000000  0.0000000000

N aug-TZVP-MOLOPT-ae
    2
 1 0 0 6 1
19730.7582418292  0.0007229641
2958.0060195993  0.0081085226
673.3875179029  0.0322944067
190.6751736584  0.1628819463
62.3664479584  0.2921086415
22.8338577893  0.9418241947
 1 0 4 7 5 4 3 2 1
 0.0450000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000  8.3729595862  0.0000000000  0.0000000000  0.0000000000  0.2301316267  0.0000000000  0.0000000000 -0.7608360222  0.0000000000  0.4397346589  0.5262545755
 0.1135116120  0.1357626754  0.3392853006  0.2745754894  0.7795134768 -2.7772381098  0.0947563427  0.1151236977  0.9880418598 -3.2757986566  0.2675249913 -0.1961647582  0.3558606285  0.0371978010  0.9518655297  1.7177539413
 0.3220317948  0.1545137897  0.3939352766  0.8010014922 -0.3893607851 -0.8314632065  0.1644394712  0.9662942241 -0.1222354965  0.4157503762  0.0211827659  0.8573381282  4.0217782433  0.2690028843 14.4415724858  0.3991869501
 0.9305503782 -0.1191162011  0.8497389197 -0.4818636882 -0.1775958970  1.0000000000  0.8701969889 -0.1146389133 -0.0830619170  0.6180340000  0.7798324780  0.3029480483  1.9393267583  0.9570101463  6.4639480585  0.1458980252
 2.9873780427  0.4316664685  0.0490519137 -0.1132115013  0.2499607270  0.0000000000  0.4370911358 -0.1326742259 -0.0078220804  0.0000000000  0.5047127306 -0.2805411895  0.0000000000  0.0866643487  0.0000000000  0.0000000000
 8.6086251511  0.8665598382 -0.0248285196 -0.1936699781 -0.1703413762  0.0000000000  0.0856964281  0.0173443829 -0.0170060404  0.0000000000 -0.2525714167  0.2326977462  0.0000000000 -0.0445634770  0.0000000000  0.0000000000
49.2701896992  0.0790153286 -0.0679831257 -0.0220769485 -0.3431035798  0.0000000000  0.0913540231 -0.1482452308  0.0397755479  0.0000000000 -0.0362727819  0.0431462803  0.0000000000  0.0298117257  0.0000000000  0.0000000000

O aug-SZV-MOLOPT-ae-mini
       2
1 0 0 3 1
130.709321  0.154328
 23.808866  0.535328
  6.443608  0.444634
1 0 1 4 2 2
 0.162491  0.000000  2.610965  0.000000  5.130949
 0.380388  0.700115 -1.228031  0.391957 -0.864464
 1.169596  0.399512 -0.000000  0.607683 -2.598152
 5.033151 -0.099967 -0.000195  0.155916  0.006001

O aug-SZV-MOLOPT-ae-SR
       2
1 0 0 3 1
130.709321400  0.1543289673
 23.808866050  0.5353281423
  6.443608313  0.4446345422
1 0 2 4 2 2 1
 0.1624916150  0.0000000000  3.4621128858  0.0000000000  0.1443111927 -0.0497158017
 0.3803889600  0.7001154689  1.9899999845  0.3919573931 16.4795006304  0.1125702692
 1.1695961250  0.3995128261 -0.0002687660  0.6076837186  0.0074236090  0.0086540273
 5.0331513190 -0.0999672292 -0.1953504334  0.1559162750  0.0060011727  0.0038938323

O aug-SZV-MOLOPT-ae
       2
1 0 0 6 1
1355.5842340000  0.0091635963
248.5448855000  0.0493614929
69.5339022900  0.1685383049
23.8867721100  0.3705627997
 9.2759326090  0.4164915298
 3.8203412980  0.1303340841
1 0 2 7 2 2 1
 0.1230000000  0.0000000000 -68.535897503  0.0000000000 13.6683135124  2.4561582382
 0.2458806060  0.2407061763 30.0920807788  0.1017082955 30.4557609409  1.2723552709
 0.5364201581  0.5951172526  5.6977237826  0.4258595477 -24.097881188  0.8475698747
 1.2351354280  0.2502417861  3.5920843807  0.4180364347 -2.4198734063  1.2313182573
 3.2103449770 -0.0337853715  0.0000000000  0.1738967435  0.0000000000  0.0000000000
10.3293200600 -0.0469917101  0.0000000000  0.0376793698  0.0000000000  0.0000000000
52.1877619600 -0.0132527881  0.0000000000  0.0037596966  0.0000000000  0.0000000000

O aug-DZVP-MOLOPT-ae
       2
 1 0 0 7 3
 0.2933384349 -0.0078174388  0.6061312057  0.7946688541
 0.9418830416  0.1583173734  0.7831404504 -0.5918461680
 5.9465384005 -0.5840207871  0.0676448442 -0.0655152912
19.6926039452 -0.7466543830  0.0727513962 -0.0477845343
76.9281426599 -0.2683985575  0.0966356731 -0.1031498937
340.9033251496 -0.0649692043 -0.0083864340  0.0278970138
2266.1188267982 -0.0065319516  0.0043151178 -0.0150255386
 2 0 3 5 1 3 2 1
 0.0900000000  3.8960330844  0.0000000000  0.0000000000  1.2600410666  0.0000000000 -0.2726928305  1.9205566433
 0.1919364243 -0.3564384680  0.1736200371  0.9847640475  2.9466498963  0.4080307551  0.1349124934  2.0317766817
 0.7500679544  0.3914278170  0.8358591331 -0.1433919212  0.4244463721  0.8944199278  0.6118908531  1.1068116956
 2.9079774579  0.0000000000  0.5107327224 -0.0949942456  0.0000000000  0.1829054096  0.0005181230 -0.4544377173
16.3686861424  0.0000000000  0.1017235397 -0.0255855612  0.0000000000  0.0083370671  0.0000000000  0.0000000000

O aug-TZVP-MOLOPT-ae
    2
 1 0 0 6 1
27032.3411071747  0.0007352649
4052.4391596002  0.0086684651
922.3496529273  0.0334607179
261.2773585706  0.1689145640
85.3094240054  0.3283338813
31.0808022148  0.9286923225
 1 0 4 7 5 4 3 2 1
 0.0500000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000 16.4337757449  0.0000000000  0.0000000000  0.0000000000 -0.0451116194  0.0000000000  0.0000000000 -0.1579893420  0.0000000000 -0.1014157961  0.1067378307
 0.1489310237  0.0719887782  0.2612931557  0.4145190045  0.8673964566 -4.7193465981  0.0207610476  0.0699062045  0.9965630531  0.3280125316  0.2577011095 -0.1103618651  0.1273121332  0.0899460420  0.0543708920  0.4819660252
 0.4544328755  0.0932917637  0.2311072506  0.8417206159 -0.4784712054  0.3857856600 -0.0361150582  0.9807757896 -0.0612678903  0.9746675226  0.1148534637  0.8351621066  7.7755609895  0.2949622069  5.2360680252  3.4564994792
 1.3354084619  0.0092160815  0.9330766686 -0.3275505817 -0.1214592026 -1.4721359520  0.9000803567  0.0450466786 -0.0197504472  0.5024267728  0.5536659202  0.3944850519  0.6180340000  0.9406478034 -0.2909079526  0.0019168766
 4.3953991095  0.4657419569 -0.0640342096 -0.0300344471 -0.0039810699  0.0000000000  0.3914221036  0.0526377360 -0.0309523104  0.0000000000  0.7707312228 -0.3533229449  0.0000000000 -0.1347695438  0.0000000000  0.0000000000
12.3094498669  0.8692413088 -0.0142460077 -0.1066004130 -0.0247597696  0.0000000000  0.1459320793 -0.0605243600  0.0173638157  0.0000000000 -0.0358452444  0.0476694147  0.0000000000  0.0438837436  0.0000000000  0.0000000000
62.9149563041  0.1163327261 -0.0581371417  0.0111937556  0.0575105171  0.0000000000 -0.1166730390  0.1572540635 -0.0381929188  0.0000000000  0.1361666972 -0.0871583722  0.0000000000  0.0003210006  0.0000000000  0.0000000000

F   aug-SZV-MOLOPT-ae-mini
2
1 0 0 3 1
166.67913  0.154329
30.360812  0.535328
 8.216821  0.444635
1 0 1 5 2 2
 6.464803 -0.099967  0.000000  0.155916  0.000000
 1.502281  0.399513 -0.081316  0.607684 -0.088228
 0.488588  0.700115  0.207803  0.391957  0.011869
 0.250000  0.000000 -1.033581  0.000000 -0.023253
 0.120000  0.000000  0.974567  0.000000  0.767234

F aug-SZV-MOLOPT-ae
2
1 0 0 6 1
0.1728626574E+04       0.9163596281E-02
0.3169417900E+03       0.4936149294E-01
0.8866889139E+02       0.1685383049E+00
0.3046015731E+02       0.3705627997E+00
0.1182857044E+02       0.4164915298E+00
0.4871658522E+01       0.1303340841E+00
1 0 2 8 2 2 1
0.08000000000000  0.00000000000000  17.63682318856841 0.00000000000000  1.44355639153782  0.18855839714821
0.15000000000000  0.00000000000000 -10.81499854195228 0.00000000000000 -0.81831667262541 -0.15798508904029
0.3158199784E+00  0.2407061763E+00  -3.15757121046635 0.1017082955E+00  0.35075644179294 -0.05027985705076
0.6890018919E+00  0.5951172526E+00   7.05280084197906 0.4258595477E+00 -0.17106237276684  0.21215045300938
0.1586462839E+01  0.2502417861E+00  -2.24239912791125 0.4180364347E+00 -0.18667789477666  0.39463753834685
0.4123509771E+01 -0.3378537151E-01   0.42008014570870 0.1738967435E+00  0.00107854809530  0.16393985189438
0.1326743777E+02 -0.4699171014E-01   0.00000000000000 0.3767936984E-01  0.00000000000000  0.00000000000000
0.6703228091E+02 -0.1325278809E-01   0.00000000000000 0.3759696623E-02  0.00000000000000  0.00000000000000

F aug-DZVP-MOLOPT-ae
2
1 0 0 7 3
2894.85760373222    -1.89225166552882E-02    -1.69242373474079E-02     1.56429205622782E-01
435.720063332300    -5.47718508603712E-02     4.35884037952142E-03    -7.98432634961778E-02
98.5263573046138    -2.73685193620500E-01     1.03734081139359E-01    -3.50907504362976E-02
25.5216495464814    -7.37742492792940E-01     9.09854482000018E-02     1.19033433504315E-02
7.74033527583515    -5.97666004055640E-01     7.53553007481536E-02    -4.08316440936977E-03
1.29027540045465     1.18958584280118E-01     8.03005387331711E-01    -5.67628929674378E-01
0.39691722964189     7.82215741311875E-02     5.74594975519432E-01     8.03469123562648E-01
2 0 3 6 1 3 2 1
0.07000000000000 41.2082277901796  0.000000000000000000  0.000000000000000000 12.7239127542751 0.000000000000000000 -0.4465022378307  0.0996782622725
0.12500000000000 16.9669085585770  0.000000000000000000  0.000000000000000000 -2.1462593962323 0.000000000000000000  0.0983538235253 -0.1218943044597
0.22140677163303 -0.2732391719472 -1.61776862802262E-01  9.82507062542321E-01 -0.2179135884910 4.02855717635176E-01  0.0912512756237  0.1002224640497
0.85628499813330 -1.2149698136695 -8.26328796839365E-01 -1.81029642926015E-01  0.1611603236012 9.03974169721402E-01  0.1010488087770  0.0956962706925
3.47280160970880  0.0000000000000 -5.28022336274227E-01 -8.76852813264231E-03  0.0000000000000 1.42075306386988E-01  0.0000000000000  0.0000000000000
20.8610649627384  0.0000000000000 -1.10459850494974E-01 -4.27931460741902E-02  0.0000000000000 1.87770753897563E-02  0.0000000000000  0.0000000000000

F aug-TZVP-MOLOPT-ae
   2
1 0 0 6 1
35479.0287876726  0.0006725853
5318.5631295105  0.0082009795
1210.5320776719  0.0341581776
342.8514367701  0.1679811654
112.0469883768  0.3401799605
40.7849178739  0.9245677006
1 0 4 8 5 4 3 2 1
 0.0500000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000  3.7212243252  0.0000000000  0.0000000000  0.0000000000 -0.0420448683  0.0000000000  0.0000000000  0.2142557939  0.0000000000  0.0060069623  0.0080253526
 0.1000000000  0.0000000000  0.0000000000  0.0000000000  0.0000000000 -0.8533583506  0.0000000000  0.0000000000  0.0000000000  0.0620646711  0.0000000000  0.0000000000  0.2002926373  0.0000000000  0.0735209697 -0.0201779555
 0.1945821904  0.0093955229  0.1257868313  0.5012689290  0.8558560165  0.0746922111 -0.0485679585 -0.0966833471  0.9878823303  0.3774079708  0.1557233602 -0.1100736781  0.1848211861 -0.0658715647  0.0889247194 -0.0053967531
 0.6134285294 -0.1781234173  0.1161552309  0.8349608101 -0.5050128616 -0.0029086983  0.0023577140  0.9525911932  0.0786110613  2.1000000252  0.0214870963  0.9584473730  0.2262149337  0.5671950574  0.0581364379  0.0438182241
 1.8004856589  0.0054220286  0.9849511721 -0.1653381574 -0.0482246452 -0.0053456144  0.8820362521  0.0229685585  0.0954990518  0.3003739227  0.5968052522  0.2068835864  0.0907226377  0.7913450893 -0.0788444466  1.1000000000
 5.7780114880  0.4758281020  0.0090686584  0.0456280443 -0.0342227538  0.0000000000  0.3854715434  0.1086185960 -0.0386557846  0.0000000000  0.7782198901 -0.1589381984  0.0000000000 -0.1907389064  0.0000000000  0.0000000000
16.1963564286  0.8532714203  0.0138508493  0.1473036450 -0.0944612874  0.0000000000 -0.1040486214  0.1575921836  0.0570164829  0.0000000000  0.0565110690  0.0044585379  0.0000000000  0.1056807635  0.0000000000  0.0000000000
79.8790181564  0.1169182393 -0.0168147951 -0.0212818698 -0.0072622648  0.0000000000 -0.2454245671  0.2146194275  0.0635891870  0.0000000000  0.1014511332 -0.0343565246  0.0000000000 -0.0131870851  0.0000000000  0.0000000000

Ne  aug-SZV-MOLOPT-ae-mini
2
1 0 0 3 1
207.01560  0.154329
 37.70815  0.535328
 10.20529  0.444635
1 0 1 4 2 2
 8.246315 -0.099967  0.000000  0.155916  0.000000
 1.916266  0.399513  0.000000  0.607684  0.000000
 0.623229  0.700115 -0.070821  0.391957  0.375179
 0.200000  0.000000  0.096096  0.000000 -0.139424

Ne aug-SZV-MOLOPT-ae
   2
1 0 0 6 1
2146.9554750000  0.0091635963
393.6419362000  0.0493614929
110.1268283000  0.1685383049
37.8315377700  0.3705627997
14.6910931800  0.4164915298
 6.0506034660  0.1303340841
1 0 2 7 2 2 1
 0.2000000000  0.0000000000 519.4839194056  0.0000000000 -0.1185618163  0.7983427841
 0.4028507849  0.2407061763  0.1481768467  0.1017082955  0.1017203241  0.0976247889
 0.8788707870  0.5951172526  0.1862611071  0.4258595477  0.1491814012  0.1000000000
 2.0236458850  0.2502417861  0.0000000000  0.4180364347  0.0000000000  0.0000000000
 5.2598292100 -0.0337853715  0.0000000000  0.1738967435  0.0000000000  0.0000000000
16.9235579900 -0.0469917101  0.0000000000  0.0376793698  0.0000000000  0.0000000000
85.5044291900 -0.0132527881  0.0000000000  0.0037596966  0.0000000000  0.0000000000

Ne aug-DZVP-MOLOPT-ae
   2
1 0 1 7 1 1
3598.7230555108 -0.0088533362  0.0000452589
541.3770610267 -0.0615664079 -0.0013950244
122.5776876082 -0.2864856408 -0.0132807209
34.3442249071 -0.6908101815 -0.0917506129
11.8622508478 -0.6527098587 -0.3185981592
 4.3524501386 -0.1029700011 -0.9384335666
 3.0002511927 -0.0143347751 -0.0961309184
1 0 3 4 3 2 2 1
 0.1000000000  0.0000000000  0.0000000000 73.4873521036  0.0000000000 -12.5214399257  0.0000000000 37.9773278158 18.8684922778
 0.1508783697  0.2376627235  0.7223069142 -29.3205563847  0.1769797654 23.3793676678 -0.0347060106 43.6344813188 -4.6565596385
 0.4317976422  0.4116058201 -0.6805025178  0.1678931479  0.6002915901  2.5872955780  0.7791959830  3.4747254504  1.5785834882
 1.3851952270  0.8798278688  0.1232438438 -1.1508586491  0.7799539534  4.4745821537  0.6258187541  7.1160809791  0.9707593527

Ne aug-TZVP-MOLOPT-ae
   3
1 0 0 6 1
45069.5630799014  0.0009913351
6755.9767699835  0.0062082580
1537.5829658047  0.0346836016
435.6097657413  0.1353572185
142.1116889739  0.4192499989
51.7159981836  0.8970314289
1 0 1 4 1 1
99.4243019743  0.0242664806  0.0495929091
21.9241908439  0.6260326657  0.2996501164
 8.0520489713  0.5233064600  0.6815783864
 1.8125385531 -0.5776197610  0.6657336211
1 0 4 5 4 3 3 2 1
 0.1000000000  0.0000000000  0.0000000000  0.0000000000  3.9039336893  0.0000000000  0.0000000000 42.6471588668  0.0000000000  0.0000000000 -0.0555389792  0.0000000000 -0.3793490149 -0.5082501218
 0.1992994083 -0.2782993979 -0.4216552526  0.8600338028 -0.0581341144  0.4625990713  0.8447619101 -5.2834906416  0.1756621471 -0.0100617525  0.0745297642 -0.1368334650  2.2740614182 -0.9235626428
 0.6223920877  0.4333611936  0.7458380072  0.4989837938  0.1163657031  0.6595252972 -0.4855859142 -4.6992386264  0.0414674240  0.6593578831  0.0946300477  0.0478419218  0.5460535121 -1.5978647899
 1.9408180889  0.8478905977 -0.5022390185  0.0417981114  0.0922132575  0.5232113600 -0.1946584726  0.0707140715  0.2055710120  0.7292848948  0.0978817442  0.3200313683 -0.0130913574  0.1408830171
 4.6564394539 -0.1258135738  0.1169977920  0.0980303493  0.0000000000  0.2779898457  0.1126575087  0.0000000000  0.9618543662 -0.1824540636  0.0000000000  0.9362519301  0.0000000000  0.0000000000

Na  aug-SZV-MOLOPT-ae-mini
3
1 0 0 3 1
250.77243  0.154329
 45.67851  0.535328
 12.36238  0.444635
1 0 1 3 1 1
12.040193 -0.099967  0.155916
 2.797882  0.399513  0.607684
 0.909958  0.700115  0.391957
1 0 1 4 2 2
 1.478741 -0.219620  0.000000  0.010588  0.000000
 0.412565  0.225595 -0.326557  0.595167  0.241862
 0.161475  0.900398 -4.536204  0.462001  0.731678
 0.050000  0.000000 36.898119  0.000000 18.851108

Na aug-SZV-MOLOPT-ae
   3
1 0 0 6 1
2600.7567710000  0.0091635963
476.8459071000  0.0493614929
133.4043010000  0.1685383049
45.8279778800  0.3705627997
17.7963448700  0.4164915298
 7.3295175960  0.1303340841
1 0 1 6 1 1
124.8424044000 -0.0132527881  0.0037596966
24.7095699200 -0.0469917101  0.0376793698
 7.6797159130 -0.0337853715  0.1738967435
 2.9546635230  0.2502417861  0.4180364347
 1.2832123820  0.5951172526  0.4258595477
 0.5881901217  0.2407061763  0.1017082955
1 0 2 7 2 2 1
 0.0500000000  0.0000000000 90.6956869994  0.0000000000 44.7462265068 141.2192063372
 0.1081470943  0.2760593123 -1.4835921501  0.1058816521 -5.9483274414  0.1144400077
 0.2098454079  0.7354914767  0.0981906131  0.4889621471  3.6661527381 -1.3308800599
 0.4240594435  0.1510635058 -4.2663045797  0.4145098597 -0.1405114724 -1.4521496239
 0.9473682506 -0.1785026925  0.0999897393  0.0762162143  0.4781463400 -1.2094575107
 2.5262437560 -0.0710026417  0.0000000000 -0.0182927707  0.0000000000  0.0000000000
 9.4330060470 -0.0079431264  0.0000000000 -0.0071393589  0.0000000000  0.0000000000

Na aug-DZVP-MOLOPT-ae
   3
1 0 0 5 1
4098.2707586718 -0.0092589336
616.7472540983 -0.0700093778
138.8216000039 -0.3043835518
40.5488045337 -0.6973185360
14.1098956750 -0.6450662539
1 0 0 5 3
19.2387201193  0.1864269095 -0.0496614229  0.0382257994
 5.0902256919 -0.5932902548  0.7314614905 -0.2906861705
 1.6964396270 -0.6169101140 -0.5484683702  0.0237189782
 0.0503278374 -0.1920867469  0.2236939800  0.9548493898
 0.5531256620 -0.4424661273 -0.3341276420 -0.0417179975
1 0 3 7 1 3 2 1
 0.0451955536 -2.3102839331  0.1693758319  0.9467404435  6.6994380641  0.8271938997 -0.1071473389 37.2019829069
 0.1000000000  0.2011246100  0.0000000000  0.0000000000 -0.9877788304  0.0000000000  2.1103522252  0.9594112678
 0.3051644252  0.0942975898  0.2787661156  0.1925165563  0.1001930013  0.5481161512  0.1014034909  0.1000000493
 1.0138456312  0.1001347712  0.6554312649 -0.2428773093  0.0999034921 -0.0223554111  0.1060771009  0.1000000000
 3.2797537047  0.0000000000  0.6332209942 -0.0624969700  0.0000000000  0.1101837231  0.0000000000  0.0000000000
12.0497256896  0.0000000000  0.2489629825 -0.0609865522  0.0000000000 -0.0502654818  0.0000000000  0.0000000000
75.3359046637  0.0000000000  0.0325536962 -0.0022999936  0.0000000000  0.0123329278  0.0000000000  0.0000000000

Na aug-TZVP-MOLOPT-ae
   3
1 0 0 7 1
26041.2116917947  0.0009971140
3906.2150516487  0.0072000514
889.0146026401  0.0381206921
251.4760397400  0.1436422474
81.6896663086  0.4164235384
28.4482514848  0.7443566380
10.2569702908  0.5003853662
1 0 1 5 1 1
138.0670054955 -0.0052164366  0.0086768730
32.1261482829  0.1529607982  0.0781746251
 8.8523891627  0.2532697323  0.3341223308
 3.0352537335 -0.8049626492  0.5828986375
 0.9252423773  0.5142619558  0.7364814229
1 0 3 6 4 4 4 1
 0.0249855160 -0.1696072649  0.8018828264  0.0546550167  8.9260084639  0.2905107104  0.8750599922 -0.1783458454 28.4785887169 -0.0816487966  0.0299515930  0.5612961244  7.9541020096 -0.2601877731
 0.0420000000  0.0000000000  0.0000000000  0.0000000000  1.1111064037  0.0000000000  0.0000000000  0.0000000000 -16.5801145865  0.0000000000  0.0000000000  0.0000000000 -6.6060321560  0.1000000000
 0.0715729460  0.2842231407  0.1097168387  0.9389410602  0.1000000000  0.4263960322  0.1740746632  0.7845180937  0.1000000000  0.1501747205  0.2925825617  0.7814200854  0.1000000000  0.1000000000
 0.3172579387  0.3332948877 -0.4852327691  0.0855949960  0.1000000000  0.7096737573 -0.4511664558 -0.0171855463  0.1000000000 -0.0678107146  0.9357959449 -0.2566303378  0.1000000000  0.1000000000
 0.8953263160  0.8455226506  0.3281136075 -0.3262470092  0.1000000000 -0.2062264197 -0.0025136233  0.0747047776  0.1000000000  0.4429279619 -0.1623091198 -0.0256629547  0.1000000000  0.1000000000
 1.8736452432  0.2538829397 -0.0428575367 -0.0404833337  0.1000000000  0.4331555989 -0.0202616043 -0.5889380046  0.1000000000  0.8774950455  0.1069581498 -0.0883832183  0.1000000000  0.1000000000

Mg  aug-SZV-MOLOPT-ae-mini
3
1 0 0 3 1
299.23741  0.154329
 54.50646  0.535328
 14.75157  0.444635
1 0 1 3 1 1
15.121824 -0.099967  0.155916
 3.513987  0.399513  0.607684
 1.142857  0.700115  0.391957
1 0 1 4 2 2
 1.395448 -0.219620  0.000000  0.010588  0.000000
 0.389327  0.225595 -0.013188  0.595167  0.047892
 0.152380  0.900398  0.124154  0.462001  0.116477
 0.050000  0.000000 -0.341610  0.000000  0.199772

Mg aug-SZV-MOLOPT-ae
   3
1 0 0 6 1
3103.3863240000  0.0091635963
569.0024854000  0.0493614929
159.1863906000  0.1685383049
54.6848215100  0.3705627997
21.2357164300  0.4164915298
 8.7460407380  0.1303340841
1 0 1 6 1 1
156.7952315000 -0.0132527881  0.0037596966
31.0338682800 -0.0469917101  0.0376793698
 9.6453031310 -0.0337853715  0.1738967435
 3.7108957750  0.2502417861  0.4180364347
 1.6116445640  0.5951172526  0.4258595477
 0.7387346208  0.2407061763  0.1017082955
1 0 2 7 2 2 1
 0.0500000000  0.0000000000 -0.4531037069  0.0000000000 416.8923093447  3.9603423768
 0.1020555436  0.2760593123  6.2765731818  0.1058816521 104.9118567227  7.5636849738
 0.1980255441  0.7354914767 -3.0494415016  0.4889621471  3.3684286292  1.8492458553
 0.4001736462  0.1510635058  0.5011074545  0.4145098597 -99.3750017133  0.0498175464
 0.8940062839 -0.1785026925  0.3330159053  0.0762162143 -10.2841860452  0.2764585017
 2.3839492090 -0.0710026417  0.0000000000 -0.0182927707  0.0000000000  0.0000000000
 8.9016775440 -0.0079431264  0.0000000000 -0.0071393589  0.0000000000  0.0000000000

Mg aug-DZVP-MOLOPT-ae
   3
1 0 0 5 1
4954.0476902067 -0.0091736964
745.0912002266 -0.0624393993
169.1381646072 -0.2949052320
45.3901535708 -0.7453215913
14.0137417826 -0.5945954880
1 0 0 5 3
24.8203146900  0.1077729593  0.0412866053 -0.0076992162
 2.4969614964 -0.6876734841 -0.4932597099  0.5073772592
 0.8505479928 -0.5590164227 -0.0753447825 -0.8183939459
 0.1175089991 -0.3990286298  0.6992559905  0.2697034703
 0.0450752145 -0.2092055455  0.5102494471  0.0006529220
1 0 3 8 1 4 2 1
 0.0604370698 223.0438451480 -0.2088803031  0.6439155476  0.7005608561  2.7180340000  0.6825692837  0.1188611421  4.0738075288
 0.1100000000 -241.9391046268  0.0000000000  0.0000000000  0.0000000000 -0.6763675354  0.0000000000  9.5721360910  0.1000000000
 0.2294199210  0.1000000000 -0.3057084824  0.6715789401 -0.6328731077  0.1000000000  0.7051914937  0.1000000000  0.1000000000
 0.7782776292  0.1000000000 -0.4321002238 -0.1536266573 -0.2272871994  0.1000000000  0.1885219925  0.1000000000  0.1000000000
 2.2110782261  0.0000000000 -0.6717898273 -0.2792641180  0.2323041701  0.0000000000  0.0283702618  0.0000000000  0.0000000000
 6.6461238157  0.0000000000 -0.4530448263 -0.1717028597 -0.0360746895  0.0000000000  0.0205430394  0.0000000000  0.0000000000
22.6272008392  0.0000000000 -0.1387000338 -0.0568266036  0.0415170782  0.0000000000 -0.0054725761  0.0000000000  0.0000000000
97.8901917649  0.0000000000 -0.0202941672 -0.0073322858 -0.0060304965  0.0000000000  0.0025983192  0.0000000000  0.0000000000

Mg aug-TZVP-MOLOPT-ae
   3
1 0 0 7 1
31438.4084401743  0.0009711512
4715.5510583338  0.0071658609
1073.1217681453  0.0374165667
303.6460559419  0.1428910332
98.4393125660  0.4120953922
34.8636421918  0.7290104190
12.9466434181  0.5261663778
1 0 1 5 1 1
179.6293265882  0.0016000256  0.0090709734
42.0165491935  0.1918923937  0.0696022019
12.3113630461  0.3948453140  0.3056635222
 4.1845875997 -0.8431973208  0.6234027837
 1.3165730715  0.3103066311  0.7162485821
1 0 3 6 4 4 4 1
 0.0462251366  0.2386367237  0.6420948756  0.7187578913 -0.0942090232 -0.4144733693 -0.1578952085  0.6922346858 16.4262382479 -0.1764766524  0.2649452639  0.9330539275 32.2541772167 -1.3608293380
 0.0700000000  0.0000000000  0.0000000000  0.0000000000  0.0335642672  0.0000000000  0.0000000000  0.0000000000  0.2999755139  0.0000000000  0.0000000000  0.0000000000  0.1031978070  5.5968574381
 0.1347526325  0.2775941751  0.6668757166 -0.6899156584  0.0714616198 -0.0877573292  0.8041732922  0.4454051323 -2.3661319851  0.2677165569  0.7006758353 -0.0305863345 -63.4533355530  1.3972187341
 0.4619369951  0.1899892624 -0.1750601284 -0.0625381891  5.2837073449  0.7896422150 -0.0047569594  0.3377274859 -0.1552380094 -0.2800595687  0.6602072066 -0.3468822616 80.0366337091 -0.1353388258
 1.2344347338  0.8600781373 -0.3206984380  0.0487329793  0.1000000000 -0.2817441022 -0.4551894051  0.2523980747  0.1000000000 -0.3327500541  0.0050856638 -0.0622734464  0.1000000000  0.1000000000
 2.4321213029  0.3002726526 -0.0974546692 -0.0334297705  0.0000000000  0.3429226014 -0.3480724006  0.3803429571  0.0000000000  0.8414439231  0.0543871436  0.0653418618  0.0000000000  0.0000000000

Al  aug-SZV-MOLOPT-ae-mini
3
1 0 0 3 1
351.42147  0.154329
 64.01186  0.535328
 17.32410  0.444635
1 0 1 3 1 1
18.899396 -0.099967  0.155916
 4.391813  0.399513  0.607684
 1.428354  0.700115  0.391957
1 0 1 5 2 2
 1.395448 -0.219620  0.000000  0.010588  0.000000
 0.389327  0.225595  0.461377  0.595167  0.034099
 0.152380  0.900398 -0.155437  0.462001 -0.323299
 0.100000  0.000000 -0.935048  0.000000  1.927583
 0.060000  0.000000 -2.210942  0.000000  0.201041

Al aug-SZV-MOLOPT-ae-SR
  3
1 0 0 6 1
3644.5863880000  0.0091635963
668.2309248000  0.0493614929
186.9469321000  0.1685383049
64.2213167500  0.3705627997
24.9390166000  0.4164915298
10.2712642600  0.1303340841
1 0 1 6 1 1
195.9641441000 -0.0132527881  0.0037596966
38.7864183100 -0.0469917101  0.0376793698
12.0547899000 -0.0337853715  0.1738967435
 4.6379121840  0.2502417861  0.4180364347
 2.0142484220  0.5951172526  0.4258595477
 0.9232774259  0.2407061763  0.1017082955
1 0 2 6 2 2 1
 0.1020555436  0.2760593123 -1.7586221238  0.1058816521  9.7529898085  0.5876310365
 0.1980255441  0.7354914767  0.6457167157  0.4889621471 -1.3226549440  0.3249925992
 0.4001736462  0.1510635058  0.2034998013  0.4145098597  1.9586220949  0.1348077119
 0.8940062839 -0.1785026925  0.2194183500  0.0762162143 -0.2342759396  0.0851833662
 2.3839492090 -0.0710026417  0.0000000000 -0.0182927707  0.0000000000  0.0000000000
 8.9016775440 -0.0079431264  0.0000000000 -0.0071393589  0.0000000000  0.0000000000

Al aug-SZV-MOLOPT-ae
   3
1 0 0 6 1
3644.5863880000  0.0091635963
668.2309248000  0.0493614929
186.9469321000  0.1685383049
64.2213167500  0.3705627997
24.9390166000  0.4164915298
10.2712642600  0.1303340841
1 0 1 6 1 1
195.9641441000 -0.0132527881  0.0037596966
38.7864183100 -0.0469917101  0.0376793698
12.0547899000 -0.0337853715  0.1738967435
 4.6379121840  0.2502417861  0.4180364347
 2.0142484220  0.5951172526  0.4258595477
 0.9232774259  0.2407061763  0.1017082955
1 0 2 7 2 2 1
 0.0500000000  0.0000000000 119.8595574351  0.0000000000 29.8663400291 -0.0122726756
 0.1020555436  0.2760593123 32.0680186799  0.1058816521 26.1654541366  0.2564016866
 0.1980255441  0.7354914767 -56.0971649440  0.4889621471 -0.7930658143  0.4683249539
 0.4001736462  0.1510635058 -2.5986540187  0.4145098597  3.8422637770  0.2830985234
 0.8940062839 -0.1785026925 -1.0576144746  0.0762162143 -0.5180339748  0.1000000000
 2.3839492090 -0.0710026417  0.0000000000 -0.0182927707  0.0000000000  0.0000000000
 8.9016775440 -0.0079431264  0.0000000000 -0.0071393589  0.0000000000  0.0000000000

Al aug-DZVP-MOLOPT-ae-SR
   3
1 0 0 5 1
5887.7656498593  0.0080832918
885.6179312020  0.0646609273
201.1766204647  0.2738257626
56.1728993466  0.7316544647
16.8569981138  0.6208500792
1 0 0 5 3
29.2500650832  0.1151107428  0.0035464227 -0.0294292705
 3.0275490829 -0.7240580838 -0.2735220960  0.3587859413
 1.0865915384 -0.6754520039  0.1867927472 -0.3859858221
 0.2274061771 -0.0787081701  0.9324628048  0.0515666841
 0.0932775684  0.0076826136  0.1442035822  0.8477985542
1 0 3 8 1 4 2 1
 0.0718992565 26.2575798319  0.0871306587  0.0661943377  0.9698311084 43.3075839083  0.2975901344 22.3090512215  5.5665391182
 0.1400000000 -5.3516055854  0.0000000000  0.0000000000  0.0000000000  0.2078369982  0.0000000000  0.0981606854  0.1015685977
 0.2804301665  0.1000000000  0.0506060521  0.9883657329 -0.0417473082  0.1000000000  0.9067007870  0.1000000000  0.1000000000
 1.0546926644  0.1000000000  0.4894908438  0.0742326219 -0.2067076944  0.1000000000  0.2973055070  0.1000000000  0.1000000000
 3.2751780156  0.0000000000  0.7616243638 -0.1138234390  0.0741949928  0.0000000000 -0.0098685368  0.0000000000  0.0000000000
10.2870117285  0.0000000000  0.3978535454 -0.0099344594 -0.0968224337  0.0000000000  0.0286006829  0.0000000000  0.0000000000
33.6855470325  0.0000000000  0.1077451217 -0.0136513924  0.0080226355  0.0000000000 -0.0045568933  0.0000000000  0.0000000000
145.0529836070  0.0000000000  0.0166692313 -0.0004197914 -0.0035873664  0.0000000000 -0.0026604220  0.0000000000  0.0000000000

Al aug-DZVP-MOLOPT-ae
   3
1 0 0 5 1
5887.7656498593  0.0080832918
885.6179312020  0.0646609273
201.1766204647  0.2738257626
56.1728993466  0.7316544647
16.8569981138  0.6208500792
1 0 0 5 3
29.2500650832  0.1151107428  0.0035464227 -0.0294292705
 3.0275490829 -0.7240580838 -0.2735220960  0.3587859413
 1.0865915384 -0.6754520039  0.1867927472 -0.3859858221
 0.2274061771 -0.0787081701  0.9324628048  0.0515666841
 0.0932775684  0.0076826136  0.1442035822  0.8477985542
1 0 3 8 1 4 2 1
 0.0500000000  9.5003585799  0.0000000000  0.0000000000  0.0000000000 247.4002272323  0.0000000000 -0.5309320578 37.6469437290
 0.0718992565  0.7586886198  0.0871306587  0.0661943377  0.9698311084  6.3546998507  0.2975901344 -4.3868894466 13.0671071448
 0.2804301665 -0.9158566147  0.0506060521  0.9883657329 -0.0417473082 -4.9329508556  0.9067007870  0.0020037532  1.7397162221
 1.0546926644 -0.1058247568  0.4894908438  0.0742326219 -0.2067076944 -2.0024720257  0.2973055070  0.0439100104 -1.3300723164
 3.2751780156  0.1396331351  0.7616243638 -0.1138234390  0.0741949928 -0.9239956539 -0.0098685368  0.0042938813  0.1386146579
10.2870117285  0.0000000000  0.3978535454 -0.0099344594 -0.0968224337  0.0000000000  0.0286006829  0.0000000000  0.0000000000
33.6855470325  0.0000000000  0.1077451217 -0.0136513924  0.0080226355  0.0000000000 -0.0045568933  0.0000000000  0.0000000000
145.0529836070  0.0000000000  0.0166692313 -0.0004197914 -0.0035873664  0.0000000000 -0.0026604220  0.0000000000  0.0000000000

Al aug-TZVP-MOLOPT-ae
   3
1 0 0 7 1
37792.5625675684  0.0009093376
5668.1073844104  0.0071054019
1289.9829255728  0.0361225778
364.8779978454  0.1404251452
118.6533758719  0.4013022166
42.0086856521  0.7304497716
15.3561956373  0.5332206733
1 0 1 5 1 1
452.5284356218  0.0056925662  0.0025429088
107.1190228221  0.0465465272  0.0305577896
34.0476547737  0.1897159388  0.1144804012
12.5252546771  0.2110667126  0.4354721046
 4.3337984461 -0.9577367702  0.8923665384
1 0 4 6 4 5 4 2 1
 0.0644937507  0.0016123470  0.0459666981  0.9700125381 10.6045816345 -0.0387210826  0.0181937961 -0.0730037682  0.9957564129 -0.0066503492 -0.0610254853 -0.0113506372  0.2291448137  1.1000000000 -0.0759284568  5.6774132676  0.1003825991
 0.1100000000  0.0000000000  0.0000000000  0.0000000000 -7.5152292000  0.0000000000  0.0000000000  0.0000000000  0.0000000000  0.4133210278  0.0000000000  0.0000000000  0.0000000000  0.0722401821  0.0000000000  1.7180339748  0.1327858129
 0.2014895007  0.0463827325  0.9973228841 -0.0391020373  0.1557564623  0.1011743446  0.2470336750  0.9589170679  0.0720297619  0.0998861728 -0.0959835919 -0.0673757879  0.9585905069 -0.2895995712  0.8689547541 -0.7490182579  2.0999999845
 0.6134439285  0.2526887418  0.0102394027 -0.2319609415  0.3224381094 -0.1058687588  0.9655987687 -0.2331723078 -0.0396423766  0.0930211195  0.0296432079  0.9968603061  0.0729825973  1.3237072856  0.4888821276  0.0946088886  0.0866515021
 1.6091910893  0.9644468662 -0.0520412005  0.0611398829  0.1616038184  0.9881617898  0.0789896113 -0.1276707801  0.0281427248  0.0985175057  0.9922454009 -0.0363119127  0.0999466509  0.0999529125  0.0046858400  0.0999811647  0.1000000000
 4.1483663615 -0.0619409756 -0.0205181795  0.0016562138  0.0000000000  0.0243415856 -0.0047966955  0.0669279722 -0.0302877630  0.0000000000  0.0404151552 -0.0168119425  0.1152436636  0.0000000000 -0.0111719755  0.0000000000  0.0000000000

Si  aug-SZV-MOLOPT-ae-mini
3
1 0 0 3 1
407.79755  0.154329
 74.28083  0.535328
 20.10329  0.444635
1 0 1 3 1 1
23.193656 -0.099967  0.155916
 5.389707  0.399513  0.607684
 1.752900  0.700115  0.391957
1 0 1 4 2 2
 1.478741 -0.219620  0.000000  0.010588  0.000000
 0.412565  0.225595  0.105278  0.595167 -0.070859
 0.161475  0.900398  0.019693  0.462001  0.254436
 0.090000  0.000000 -1.592192  0.000000  0.581592

Si aug-SZV-MOLOPT-ae-SR
   3
1 0 0 6 1
4229.2617370000  0.0091635963
775.4305100000  0.0493614929
216.9375129000  0.1685383049
74.5238906900  0.3705627997
28.9398075500  0.4164915298
11.9190109100  0.1303340841
1 0 1 6 1 1
240.4904849000 -0.0132527881  0.0037596966
47.5993431800 -0.0469917101  0.0376793698
14.7938403800 -0.0337853715  0.1738967435
 5.6917236320  0.2502417861  0.4180364347
 2.4719194520  0.5951172526  0.4258595477
 1.1330615450  0.2407061763  0.1017082955
1 0 2 6 2 2 1
 0.1081470943  0.2760593123 188.7078754197  0.1058816521 194.2955082848  0.3895919719
 0.2098454079  0.7354914767 -43.0003763648  0.4889621471 27.3616516402  0.2316230135
 0.4240594435  0.1510635058  6.0473047631  0.4145098597 71.2236957773  0.1036941461
 0.9473682506 -0.1785026925 -0.0431914469  0.0762162143 -2.6704889002  0.1000000000
 2.5262437560 -0.0710026417  0.0000000000 -0.0182927707  0.0000000000  0.0000000000
 9.4330060470 -0.0079431264  0.0000000000 -0.0071393589  0.0000000000  0.0000000000

Si aug-SZV-MOLOPT-ae
   3
1 0 0 6 1
4229.2617370000  0.0091635963
775.4305100000  0.0493614929
216.9375129000  0.1685383049
74.5238906900  0.3705627997
28.9398075500  0.4164915298
11.9190109100  0.1303340841
1 0 1 6 1 1
240.4904849000 -0.0132527881  0.0037596966
47.5993431800 -0.0469917101  0.0376793698
14.7938403800 -0.0337853715  0.1738967435
 5.6917236320  0.2502417861  0.4180364347
 2.4719194520  0.5951172526  0.4258595477
 1.1330615450  0.2407061763  0.1017082955
1 0 2 7 2 2 1
 0.0500000000  0.0000000000 355.8902469159  0.0000000000 67.4710026793 -0.0675086950
 0.1081470943  0.2760593123 -104.0828713434  0.1058816521 39.4158202023  0.3016760932
 0.2098454079  0.7354914767 -2.6164360419  0.4889621471  5.4860542688  0.3215142059
 0.4240594435  0.1510635058 -3.1162577189  0.4145098597  1.2440802033  0.2054465967
 0.9473682506 -0.1785026925 -0.4707963201  0.0762162143 -0.5453093901  0.1000000000
 2.5262437560 -0.0710026417  0.0000000000 -0.0182927707  0.0000000000  0.0000000000
 9.4330060470 -0.0079431264  0.0000000000 -0.0071393589  0.0000000000  0.0000000000

Si aug-DZVP-MOLOPT-ae-SR
   3
1 0 0 5 1
6903.5952652848  0.0079043846
1038.4797099873  0.0637222938
235.9426052456  0.2708055978
66.0915789535  0.7270609978
19.8215297533  0.6276333513
1 0 0 5 3
34.2202324136  0.1194105564 -0.0093347105 -0.0118021684
 3.6019591338 -0.7526013113 -0.1188316320  0.2137070147
 1.3343273715 -0.6369765900 -0.0360818441 -0.3035737716
 0.3333830520 -0.1047114717  0.9763180216 -0.1512989942
 0.1465084731 -0.0512710127  0.1768986368  0.9160467238
1 0 3 8 1 4 2 1
 0.1004811628 41.4122137346 -0.1209188855  0.0208329318  0.9776642784 27.5164085772  0.1645006593 34.8257558796  0.9541019748
 0.1800000000 -19.5260717620  0.0000000000  0.0000000000  0.0000000000  5.4012975025  0.0000000000  1.2473719199  1.5004308381
 0.3605865615  1.6431426788 -0.0513252847  0.9918168035 -0.0076460502 -8.0610899196  0.9510898463  2.7721446170  0.3546617628
 1.4038518568  0.2600841488  0.5261792873  0.1206283135 -0.0643385723  0.1376261583  0.2606291430 -4.1360680252  0.1000000000
 4.2316392229  0.0000000000  0.7357645705 -0.0268343660  0.1993591696  0.0000000000  0.0053530792  0.0000000000  0.0000000000
12.9164472846  0.0000000000  0.3923637567  0.0219817140  0.0098229383  0.0000000000  0.0171546928  0.0000000000  0.0000000000
41.9556262276  0.0000000000  0.1016518850  0.0105331556  0.0104927263  0.0000000000 -0.0096707353  0.0000000000  0.0000000000
179.8023083862  0.0000000000  0.0157406930  0.0000309661  0.0048968111  0.0000000000  0.0048605684  0.0000000000  0.0000000000

Si aug-DZVP-MOLOPT-ae
   3
1 0 0 5 1
6903.5952652848  0.0079043846
1038.4797099873  0.0637222938
235.9426052456  0.2708055978
66.0915789535  0.7270609978
19.8215297533  0.6276333513
1 0 0 5 3
34.2202324136  0.1194105564 -0.0093347105 -0.0118021684
 3.6019591338 -0.7526013113 -0.1188316320  0.2137070147
 1.3343273715 -0.6369765900 -0.0360818441 -0.3035737716
 0.3333830520 -0.1047114717  0.9763180216 -0.1512989942
 0.1465084731 -0.0512710127  0.1768986368  0.9160467238
1 0 3 9 1 4 2 1
 0.0600000000 50.9177982515  0.0000000000  0.0000000000  0.0000000000  2.2803398714  0.0000000000 -4.1360680252 -0.0422177471
 0.1004811628 -25.1256848375 -0.1209188855  0.0208329318  0.9776642784  0.6198554950  0.1645006593 -153.8020441359  0.0111919084
 0.1800000000  2.8590870410  0.0000000000  0.0000000000  0.0000000000  1.0795026976  0.0000000000 -184.6823718773  1.1000000000
 0.3605865615  0.4819660000 -0.0513252847  0.9918168035 -0.0076460502  0.4819660000  0.9510898463  0.1000000000  0.1000000000
 1.4038518568  0.1000000000  0.5261792873  0.1206283135 -0.0643385723  0.1000000000  0.2606291430  0.1000000000  0.1000000000
 4.2316392229  0.0000000000  0.7357645705 -0.0268343660  0.1993591696  0.0000000000  0.0053530792  0.0000000000  0.0000000000
12.9164472846  0.0000000000  0.3923637567  0.0219817140  0.0098229383  0.0000000000  0.0171546928  0.0000000000  0.0000000000
41.9556262276  0.0000000000  0.1016518850  0.0105331556  0.0104927263  0.0000000000 -0.0096707353  0.0000000000  0.0000000000
179.8023083862  0.0000000000  0.0157406930  0.0000309661  0.0048968111  0.0000000000  0.0048605684  0.0000000000  0.0000000000

Si aug-TZVP-MOLOPT-ae
   3
1 0 0 7 1
44773.4603459339  0.0009092614
6717.2036891803  0.0067627344
1528.8699580672  0.0356522683
432.5329500799  0.1362733910
140.5849190838  0.3967698279
49.8782518597  0.7228195134
18.2958052568  0.5479211367
1 0 1 5 1 1
394.4409598558  0.0153736851  0.0056822257
93.1163429715  0.0711054142  0.0467511580
29.6073399900  0.2516721478  0.2014649508
10.7918452149  0.0267121597  0.5606914805
 4.2816889914 -0.9647047530  0.8017599259
1 0 4 7 4 5 4 2 1
 0.0450000000  0.0000000000  0.0000000000  0.0000000000  6.6507031848  0.0000000000  0.0000000000  0.0000000000  0.0000000000  2.5392319653  0.0000000000  0.0000000000  0.0000000000 -0.0193198566  0.0000000000 12.3377849694 67.8982265512
 0.0794175884  0.1004764286  0.0906313540  0.9906520396 -2.6218321796  0.0072599622 -0.0107908672  0.0200959679  0.9989998077 -0.9597727477 -0.1013547097  0.0616649277  0.1122664126  0.0652379175 -0.0279738994  1.4994682719  2.3389520261
 0.1350000000  0.0000000000  0.0000000000  0.0000000000  0.1043127322  0.0000000000  0.0000000000  0.0000000000  0.0000000000  1.0598035074  0.0000000000  0.0000000000  0.0000000000  1.0976511225  0.0000000000 -1.9133039422 -0.4384960544
 0.2538470978 -0.0054748800  0.9946044935 -0.0903334046 -1.3224033657  0.1014325495  0.0107247054  0.9925752412 -0.0181790355  1.1144485576 -0.0228371112  0.0259235462  0.9878858745  0.0992180025  0.9368327265  0.2377744162  0.5721599590
 0.8186686325  0.3153281324  0.0332819762 -0.0246354390  0.0998620981 -0.0639182190  0.9966335004 -0.0071459600  0.0132295113  0.1541332037  0.0040072036  0.9976227147 -0.0342706288  0.0940831677  0.3112511012  0.0014764931 -0.9000508981
 1.8613079009  0.9407215740 -0.0176910496 -0.0961560470  0.1889443691  0.9917022276  0.0607744778 -0.1048060750 -0.0028201149  0.1061831826  0.9919167077  0.0016590926  0.0271825972  0.0967409550  0.1434567862  0.0269230415  0.4195203050
 4.8675906406 -0.0740648509 -0.0335737404  0.0244033242  0.0000000000  0.0458244902  0.0528835197  0.0579237817 -0.0385478133  0.0000000000  0.0727384114  0.0164794739  0.0977976585  0.0000000000 -0.0640687594  0.0000000000  0.0000000000

P   aug-SZV-MOLOPT-ae-mini
3
1 0 0 3 1
468.36563  0.154329
 85.31338  0.535328
 23.08913  0.444635
1 0 1 3 1 1
28.032640 -0.099967  0.155916
 6.514183  0.399513  0.607684
 2.118614  0.700115  0.391957
1 0 1 4 2 2
 1.743103 -0.219620  0.000000  0.010588  0.000000
 0.486321  0.225595  1.422617  0.595167 -0.051751
 0.190343  0.900398 -1.240279  0.462001  0.042887
 0.090000  0.000000  0.252409  0.000000  0.290008

P aug-SZV-MOLOPT-ae
   3
1 0 0 6 1
4857.4123710000  0.0091635963
890.6012410000  0.0493614929
249.1581331000  0.1685383049
85.5925433500  0.3705627997
33.2380892700  0.4164915298
13.6892806900  0.1303340841
1 0 1 6 1 1
290.6649590000 -0.0132527881  0.0037596966
57.5301810300 -0.0469917101  0.0376793698
17.8803373800 -0.0337853715  0.1738967435
 6.8792102800  0.2502417861  0.4180364347
 2.9876457120  0.5951172526  0.4258595477
 1.3694566230  0.2407061763  0.1017082955
1 0 2 7 2 2 1
 0.0720000000  0.0000000000  2.6746092194  0.0000000000 54.2088266435  0.3012636064
 0.1274811462  0.2760593123 1175.9323717188  0.1058816521 -2.9054769188  0.4363488214
 0.2473606277  0.7354914767 -307.9186206313  0.4889621471 18.4424084906  0.8630790720
 0.4998708868  0.1510635058 -4.8610459610  0.4145098597  8.8553178563  0.5134586536
 1.1167344930 -0.1785026925  1.0527690831  0.0762162143  0.6444302313  0.1987509646
 2.9778742720 -0.0710026417 40.0917416286 -0.0182927707  0.7621106352  0.0913017024
11.1193965200 -0.0079431264  0.0000000000 -0.0071393589  0.0000000000  0.0000000000

P aug-DZVP-MOLOPT-ae
   3
1 0 0 5 1
8002.4815534746  0.0079437560
1203.6199990678  0.0625055505
273.3546310090  0.2680401407
76.5359378202  0.7263358500
22.7987858320  0.6297782696
1 0 0 5 3
39.9146216447  0.1166916556 -0.0265850757  0.0012289639
 4.1943332674 -0.7572660203  0.1051532590 -0.0030546426
 1.5746282533 -0.6397409402 -0.0463754290 -0.0406665364
 0.3471845173  0.0564886012  0.9856828956 -0.1227537534
 0.1155806270 -0.0217209432  0.1204764487  0.9915981584
1 0 3 8 1 4 2 1
 0.0740000000  5.4453907963  0.0000000000  0.0000000000  0.0000000000 -36.0395571850  0.0000000000 34.2135939394  0.1575701336
 0.1275568524 -6.0278494352 -0.0346163214  0.0584498880  0.9950213389 15.7177812076  0.1173191376 49.8479640612  4.7753713576
 0.4438839243 38.9442122549 -0.0683636767  0.9871550001 -0.0505947027 -0.8605004671  0.9495837644  3.7448647759  5.8149731308
 1.7766618326 -6.6855609895  0.5212617460  0.1419509879 -0.0436843786  0.3155068770  0.2900638878 -2.5151802542  0.0393531972
 5.2663295047 -2.5180339845  0.7550071291 -0.0246796027  0.0734521471 -0.1263866266 -0.0023761549  0.6026825403  0.0331876037
15.9651398863  0.0000000000  0.3774259741  0.0363271005 -0.0057111163  0.0000000000  0.0174014093  0.0000000000  0.0000000000
51.3137247289  0.0000000000  0.0985700760  0.0038724388  0.0050945833  0.0000000000 -0.0086321764  0.0000000000  0.0000000000
219.5608564585  0.0000000000  0.0145643160  0.0038466418 -0.0032552493  0.0000000000  0.0026202653  0.0000000000  0.0000000000

P aug-TZVP-MOLOPT-ae
   3
1 0 0 7 1
52427.0118195229  0.0007723396
7863.3142899737  0.0066993050
1789.6065822764  0.0344640760
506.3664889297  0.1335672626
164.6225789382  0.3884072543
58.4215059893  0.7198328481
21.5169778044  0.5584863582
1 0 1 5 1 1
472.2775131086 -0.0010845889  0.0060018968
111.6711721201  0.0236019137  0.0439309149
35.4483632829  0.2709854432  0.2063391948
12.8875844179  0.0517830716  0.5572732924
 5.3505455444 -0.9608991500  0.8030595658
1 0 4 6 4 5 4 2 1
 0.0740000000  0.0000000000  0.0000000000  0.0000000000  3.1957248846  0.0000000000  0.0000000000  0.0000000000  0.0000000000  0.0878358264  0.0000000000  0.0000000000  0.0000000000  0.2863693027  0.0000000000 11.6070922675  0.3540091983
 0.0942397558  0.0874491481  0.1382926505  0.9818041833 -3.7812613774  0.0066227292  0.0039568278  0.0995949951  0.9929361854  0.0655670088  0.0028203330  0.0074849458  0.1077215836  0.3709528654 -0.0666843875 -5.7691317105  0.0982794098
 0.2939854264  0.0319865547  0.9870044583 -0.1337218874  0.5843951274 -0.0799131528 -0.0091920779  0.9880677049 -0.0925260759  0.0971518927 -0.0360161546  0.0067027290  0.9897784352  0.1082029675  0.9186142332  0.4159098143  0.4891023681
 0.9535730219  0.2920267514  0.0531849050 -0.1261121421  0.1097057151 -0.0452733490  0.9989514838  0.0050576852 -0.0040532406 -0.0341477665 -0.0679774757  0.9962500975 -0.0143291307  0.0996937561  0.3848522732 -0.1226695152  0.0575670690
 2.3251839267  0.9481988487 -0.0620459166 -0.0461313005  0.0000000000  0.9957129550  0.0446416127  0.0780996093 -0.0135758222  0.0000000000  0.9940435646  0.0719917253  0.0409985303  0.0000000000  0.0451155274  0.0000000000  0.0000000000
 5.0195297942  0.0834794976 -0.0043602914 -0.0121092215  0.0000000000  0.0087213859  0.0017054785  0.0876237314 -0.0729103917  0.0000000000 -0.0771449081  0.0469253000  0.0827557016  0.0000000000 -0.0394258805  0.0000000000  0.0000000000

S   aug-SZV-MOLOPT-ae-mini
3
1 0 0 3 1
533.12573  0.154329
 97.10951  0.535328
 26.28162  0.444635
1 0 1 3 1 1
33.329752 -0.099967  0.155916
 7.745118  0.399513  0.607684
 2.518953  0.700115  0.391957
1 0 1 4 2 2
 2.029194 -0.219620  0.000000  0.010588  0.000000
 0.566140  0.225595  1.442935  0.595167 -0.667717
 0.221583  0.900398 -4.414552  0.462001 -0.246736
 0.100000  0.000000 -0.017294  0.000000  2.012210

S aug-SZV-MOLOPT-ae
   3
1 0 0 6 1
5529.0382890000  0.0091635963
1013.7431180000  0.0493614929
283.6087927000  0.1685383049
97.4272747100  0.3705627997
37.8338617800  0.4164915298
15.5820736000  0.1303340841
1 0 1 6 1 1
345.5896791000 -0.0132527881  0.0037596966
68.4012165500 -0.0469917101  0.0376793698
21.2590471200 -0.0337853715  0.1738967435
 8.1791216990  0.2502417861  0.4180364347
 3.5521981280  0.5951172526  0.4258595477
 1.6282323010  0.2407061763  0.1017082955
1 0 2 7 2 2 1
 0.0720000000  0.0000000000 467.8612444818  0.0000000000 -1.9428106803  0.0696778083
 0.1484042983  0.2760593123 3002.9428942753  0.1058816521  0.5963516960  0.2698446951
 0.2879592903  0.7354914767 -1935.1609348639  0.4889621471 -0.3626990671  0.2411043088
 0.5819134077  0.1510635058  5.6774352237  0.4145098597  0.3423719339  0.1420198728
 1.3000212480 -0.1785026925 102.1281773285  0.0762162143 -0.0442550335  0.1030620644
 3.4666251050 -0.0710026417  0.0000000000 -0.0182927707  0.0000000000  0.0000000000
12.9443944200 -0.0079431264  0.0000000000 -0.0071393589  0.0000000000  0.0000000000

S aug-DZVP-MOLOPT-ae
   3
1 0 0 5 1
9184.9686069611 -0.0077178684
1381.5140083898 -0.0624039791
313.8928189176 -0.2649554761
87.5145787649 -0.7298653256
25.9313962476 -0.6270098724
1 0 0 5 3
45.4828497859 -0.1171708303 -0.0316680267  0.0079821638
 4.8763330738  0.7614437270  0.1272276353 -0.0280177603
 1.8640663969  0.6267173369 -0.0101322680 -0.0726181991
 0.4302504212 -0.1119720744  0.9386632992 -0.3176386157
 0.1528724814  0.0340893132  0.3187770582  0.9449780935
1 0 3 8 1 4 2 1
 0.0700000000 73.1102053697  0.0000000000  0.0000000000  0.0000000000 -0.0393610380  0.0000000000  0.2431421195  0.0505958598
 0.1320262021 -30.1405628411 -0.0771401281  0.1350304598  0.9876310352 -0.1081741111  0.2596815721  0.5107047008  0.0505950600
 0.4619032883 -7.1579564857  0.0557301141  0.9724797008 -0.1257896971  0.2291544123  0.9171136644  0.0739326992  0.0999340392
 2.0432609462  0.0000000000 -0.4839219278  0.1734378519 -0.0700014249  0.0000000000  0.3008761444  0.0000000000  0.0000000000
 6.0302468795  0.0000000000 -0.7734553989 -0.0681153147 -0.0407603942  0.0000000000 -0.0220075057  0.0000000000  0.0000000000
18.8175760171  0.0000000000 -0.3864004091  0.0347067321 -0.0464624726  0.0000000000  0.0201706189  0.0000000000  0.0000000000
61.2432439936  0.0000000000 -0.0950073268 -0.0099771410  0.0025447741  0.0000000000 -0.0065486855  0.0000000000  0.0000000000
262.0371799901  0.0000000000 -0.0140783640  0.0050518635 -0.0059197986  0.0000000000  0.0027356797  0.0000000000  0.0000000000

S aug-TZVP-MOLOPT-ae
   3
1 0 0 7 1
60700.9436639581  0.0008622219
9102.6304597528  0.0065811407
2071.4647893622  0.0337606270
585.9348228783  0.1319167465
190.4791300613  0.3830156967
67.6680750265  0.7192771584
24.7651480785  0.5633413553
1 0 1 5 1 1
564.2999474876 -0.0010057475  0.0054397384
133.4359377236  0.0195795912  0.0401411843
42.4585375015  0.1794916159  0.1947736034
15.6020467726  0.0760015980  0.5129070702
 6.4124554009 -0.9806233451  0.8350740538
1 0 4 6 4 5 4 2 1
 0.0700000000  0.0000000000  0.0000000000  0.0000000000  1.2965593550  0.0000000000  0.0000000000  0.0000000000  0.0000000000 -0.4608695236  0.0000000000  0.0000000000  0.0000000000 -0.2327877164  0.0000000000  1.9090335400  0.0169015116
 0.1088354203  0.1087191259  0.3055890335  0.9445244455 -1.2462521416 -0.0333403004  0.0886660574 -0.0101726285  0.9952453054  0.2249596099 -0.0869227698  0.1783158390  0.1790247524  2.3618111354  0.0521327089  0.9452109107  0.1355801836
 0.3373739476  0.0424486334  0.9425439392 -0.3029732803  0.1217178753 -0.0336055891 -0.0395796694  0.9926352544  0.0147529280  0.0960210421  0.0007001506 -0.0565539466  0.9796231005  0.5196779736  0.9083941258  1.5516724946  0.1004776275
 0.9608945733  0.2084791932  0.0846023816 -0.1043375676 -0.0631445486  0.0569051907  0.9658097570  0.0666066441 -0.0880863480  0.0659177903  0.0794107544  0.9795366160  0.0282613128 -1.2862871727  0.4122449618  0.1895505403  0.1145789876
 2.5889815190  0.9620713378 -0.0992353222 -0.0671904134  0.0000000000  0.9970466205 -0.0486590528  0.0273261660  0.0387436318  0.0000000000  0.9881684525 -0.0584352511  0.0041841203  0.0000000000  0.0321669287  0.0000000000  0.0000000000
 6.9797416926 -0.1316564929 -0.0349435720  0.0260745792  0.0000000000 -0.0204676457  0.2354051610 -0.0968948143 -0.0029764795  0.0000000000  0.0982903023 -0.0458088645  0.0864436828  0.0000000000 -0.0334913871  0.0000000000  0.0000000000

Cl  aug-SZV-MOLOPT-ae-mini
3
1 0 0 3 1
601.34561  0.154329
109.53585  0.535328
 29.64467  0.444635
1 0 1 3 1 1
38.960419 -0.099967  0.155916
 9.053563  0.399513  0.607684
 2.944500  0.700115  0.391957
1 0 1 4 2 2
 2.129386 -0.219620  0.000000  0.010588  0.000000
 0.594093  0.225595  0.815640  0.595167 -7.252192
 0.232524  0.900398 -0.660424  0.462001 -4.592771
 0.080000  0.000000 -0.034765  0.000000  4.792702

Cl aug-SZV-MOLOPT-ae
   3
1 0 0 6 1
6236.5455250000  0.0091635963
1143.4637950000  0.0493614929
319.8999635000  0.1685383049
109.8942714000  0.3705627997
42.6751614100  0.4164915298
17.5759881400  0.1303340841
1 0 1 6 1 1
403.9729660000 -0.0132527881  0.0037596966
79.9567926900 -0.0469917101  0.0376793698
24.8505115700 -0.0337853715  0.1738967435
 9.5608875260  0.2502417861  0.4180364347
 4.1522999680  0.5951172526  0.4258595477
 1.9033028810  0.2407061763  0.1017082955
1 0 2 7 2 2 1
 0.0770000000  0.0000000000 1628.4249357879  0.0000000000  1.3890042370  0.3594744349
 0.1557318157  0.2760593123 -12.0344343187  0.1058816521  0.4123558660  0.0540329906
 0.3021773873  0.7354914767 -170.1699294644  0.4889621471  0.0626086223  1.0553428271
 0.6106455986  0.1510635058  2.8648077240  0.4145098597 -0.0604817798  0.2539919601
 1.3642102810 -0.1785026925 -1.0836896824  0.0762162143  0.1022078436  0.5007807749
 3.6377910080 -0.0710026417 -5.1775284753 -0.0182927707  0.0818255639  0.1003098010
13.5835287100 -0.0079431264  0.0000000000 -0.0071393589  0.0000000000  0.0000000000

Cl aug-DZVP-MOLOPT-ae
   3
1 0 0 5 1
10449.7386598633  0.0079296057
1571.7817746485  0.0621680868
357.1732953589  0.2695771176
100.0866745740  0.7191734728
30.6100259653  0.6373303257
1 0 0 5 3
51.9124511857 -0.1180963287 -0.0640377047  0.0389634889
 5.6041272971  0.7744839363 -0.1946532620  0.5743220432
 2.1907512498  0.6123858274  0.3852294306 -0.6600643098
 0.5648435895 -0.0502206802  0.5975990036  0.4628925441
 0.2020015400 -0.0932167962  0.6726685638  0.1366807840
1 0 3 8 1 4 2 1
 0.0770000000 -0.3111648882  0.0000000000  0.0000000000  0.0000000000  3.9737893008  0.0000000000  0.5642415392 -0.2524239918
 0.1540676497 -0.4974183297 -0.0348579491  0.0038285929  0.9973867970  3.4460135954  0.4434374215  2.4737126115 -0.3608785555
 0.5435921404  0.4577345646  0.0017733269  0.9861992743 -0.0136123357  3.7791062199  0.8603446151  1.0914861194  1.6601392273
 2.4710543908 -0.1148676533 -0.5071912206  0.1394080823  0.0281680450  0.0408098298  0.2510181248  0.0048965491  0.3507717131
 7.2478213718 -0.0180387155 -0.7683253774 -0.0889706781 -0.0632538812  0.0003005320 -0.0083072907  0.0455109343 -0.0419829693
22.5551860672  0.0000000000 -0.3783867709 -0.0009496559  0.0023370332  0.0000000000  0.0072126159  0.0000000000  0.0000000000
72.1472837967  0.0000000000 -0.0885277776 -0.0049448270 -0.0147096881  0.0000000000 -0.0036062107  0.0000000000  0.0000000000
307.6626235236  0.0000000000 -0.0141860192  0.0045370761 -0.0042370422  0.0000000000  0.0051244463  0.0000000000  0.0000000000

Cl aug-TZVP-MOLOPT-ae
   3
1 0 0 7 1
69508.0045021727  0.0008546397
10426.0740486188  0.0063661088
2373.2137255760  0.0332269466
671.4808261067  0.1291709114
218.3595327119  0.3786804619
77.6819395824  0.7129727902
28.6356949437  0.5748395394
1 0 1 5 1 1
666.4526809040  0.0014381466  0.0058177833
157.5407385408  0.0268716179  0.0429983500
50.2714798102  0.2232529194  0.2081983147
18.5618180031  0.1260499493  0.5591987316
 7.6769845661 -0.9662015277  0.8012911678
1 0 4 5 4 5 4 2 1
 0.1300562036  0.1372148829  0.0959260239  0.9857641543  0.1459779135  0.0450253234 -0.0471505256  0.1400884398  0.9878494661  0.0931268643 -0.0195754007  0.2551366470  0.2037307520  7.6021593923 -0.0213278292 -5.7574005289 -2.0537349783
 0.4129644236 -0.0145904199  0.9892851097 -0.0935576426 -0.5502689712 -0.2174431312  0.0249858269  0.9668329884 -0.1253246067 -0.1088290075 -0.0365554259  0.0324811485  0.9740235791  2.8541636597  0.9807839819 -2.9209181029  1.8880579965
 1.2614729577  0.2428134691  0.1049561784 -0.0523619013 20.9082932487 -0.0078241959  0.9929463365 -0.0167130181  0.0483191202 -0.0608002687 -0.0882726077  0.9577396410 -0.0919882653  0.6003621293  0.1801573850  0.2656781753  0.4262055947
 3.2135925435  0.9595496257 -0.0259950858 -0.1293662856 -0.3885037174  0.9676635316  0.0027768987  0.2124061189 -0.0759992235 -0.0491556974  0.9931896424  0.0967974272  0.0326871756  0.1483428115  0.0710821712 -0.0862757763  0.1189085864
 7.9229163083 -0.0355714849 -0.0205335283 -0.0062124898 -1.4536274598  0.1194038381  0.1058413815 -0.0146122272  0.0183454634 -0.1174224388 -0.0637399837  0.0849429481  0.0155420574  0.1061960314  0.0099270383  0.0257421363  0.0166948323
