! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
O   -4.7584164291   0.1920578891   2.4935876205
O   -1.2954714020   0.2337133380   1.5907623391
O   -1.9570911301  -0.8229395760  -0.7981654793
O   -2.3222779815   1.3804935650  -0.9747568312
O   -0.1259780550  -1.6598198470   1.8862634806
O   -5.3307598261   2.3287496452   2.8536287238
O    2.6899413374   0.7594472365   0.9359462284
O    5.4174355674   0.5746618083   0.9329203393
O    7.4868381706  -1.0762785984   0.6376631732
O    5.1419373922   1.7385619694  -1.0674077024
O    6.2598515535   0.2547821130  -2.3217980143
N    1.5923244654  -0.8513151819  -0.1959526839
N    3.7190616231  -2.3638214438  -0.3521600415
C   -3.8738632103   0.0291747542   0.2802682283
C   -3.6126226866   0.5280505404   1.7175393452
C   -2.4163219884  -0.1381030196   2.4120198455
C   -5.0953387276   0.7187140097  -0.3449952110
C   -2.6489557453   0.2974771032  -0.5659221123
C   -2.2023250259   0.3464204555   3.8286585532
C   -5.3212707967   0.2632659775  -1.7613085783
C    0.3033194235  -0.2547311257  -0.0381600069
C   -0.5992999223  -0.7135768564  -1.2085904309
C   -0.3641782020  -0.6585145515   1.2692993379
C   -5.5348902794   1.1522964364   3.0122056042
C   -6.6594451507   0.5621854727   3.8243970762
C   -5.8002912219  -1.0208739831  -2.0166344376
C   -5.0291108740   1.0925232501  -2.8404837970
C   -5.9816777470  -1.4657535264  -3.3179097869
C   -5.2124796935   0.6515146532  -4.1449263902
C   -7.7653883073   1.5795644822   4.0523580789
C   -6.1021466317   0.0353552002   5.1510305115
C   -5.6868162652  -0.6296902485  -4.3876929176
C    2.6997403516  -0.3037058147   0.3364262993
C    3.9354193366  -1.1354692920   0.1274495871
C    5.2035332096  -0.6767424281   0.4468812638
C    6.2959532122  -1.5507502782   0.2870441327
C    4.7484682609  -3.1686238560  -0.5171440759
C    6.0542231615  -2.8221671159  -0.2074853902
C    5.9766097364   1.5154840431   0.0498603856
C    4.4434055210   1.5012677135  -3.3090165605
C    5.3888101725   1.0779853199  -2.2139608545
C    4.8492101183   0.9004218421  -4.6449206178
C    3.0049026631   1.1241232470  -2.9447729705
C    8.6251298463  -1.9097181844   0.4659686289
H   -4.0489169431  -1.0495462065   0.3190218315
H   -3.4605215248   1.6110482042   1.7052665512
H   -2.5362610614  -1.2251207262   2.3981694051
H   -4.9715173183   1.8025591661  -0.3095592403
H   -5.9767629296   0.4776369450   0.2513205948
H   -3.0143008351   0.0197025137   4.4765432870
H   -2.1378803889   1.4339552570   3.8763263390
H   -1.2830606028  -0.0729765980   4.2361878430
H    0.4030105053   0.8314421421  -0.0566592742
H   -0.4807058291  -0.0496453790  -2.0642123931
H   -0.3220534371  -1.7210211496  -1.5121369579
H   -7.0607706135  -0.2874305394   3.2649615776
H   -6.0394368208  -1.6786238512  -1.1886875695
H   -4.6584873068   2.0943453201  -2.6618841964
H    1.6707507753  -1.7909134228  -0.5608093418
H   -6.3568589196  -2.4648644282  -3.4974632472
H   -4.9838022686   1.3113188388  -4.9717487655
H   -8.5852647719   1.1122605866   4.5975370937
H   -8.1703064035   1.9596436452   3.1143695019
H   -7.4185243723   2.4284878175   4.6417247131
H   -5.3656941274  -0.7546738699   5.0073110502
H   -6.9150164601  -0.3808776530   5.7456699617
H   -5.6417099085   0.8354637502   5.7325855838
H   -5.8291842496  -0.9744421999  -5.4034643129
H    4.5367893145  -4.1536764434  -0.9135849053
H    6.8448917448  -3.5431552104  -0.3576133735
H    6.0076418112   2.4503972245   0.6014248857
H    6.9819902901   1.2385975085  -0.2668474062
H    4.5012668394   2.5924460234  -3.3732281990
H    4.7805140601  -0.1879957315  -4.6346767990
H    5.8657823791   1.1732804233  -4.9269844287
H    4.1836384473   1.2645044149  -5.4273109554
H    2.8997863043   0.0448481503  -2.8267422548
H    2.3349803836   1.4322505704  -3.7471714173
H    2.6652322796   1.6092098418  -2.0309351611
H    8.5596039439  -2.8093135530   1.0804375490
H    8.7615965179  -2.1923640062  -0.5793653546
H    9.4814501843  -1.3238229397   0.7872863358
*