! 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   -4.8072645814  -0.0283537809   1.3358868507
O   -1.2425075150   0.2942988107   1.3340416644
O   -1.2400060600  -0.4707382009  -1.2300131826
O   -1.6965092188   1.7226211526  -1.2580710935
O   -0.1267634266  -1.6180908462   1.7003758833
O   -5.5818381572   1.9469145139   2.0505678254
O    3.2319617779   1.2795567347   0.6502704859
O    5.9477110986   0.9648665544   0.7333778787
O    7.9357276788  -0.7829088729   0.9568519045
O    5.6210826780   1.4920515800  -1.5118324015
O    6.5380964240  -0.3953670977  -2.2984699318
N    2.0292363636  -0.5993306736   0.2653601186
N    4.0984546498  -2.1473200632   0.4847819338
C   -3.4155871989   0.1715486591  -0.5856863887
C   -3.5512514963   0.4895919011   0.9182951036
C   -2.5077455564  -0.1859752656   1.8195710243
C   -4.4720764737   0.9092027510  -1.4271758310
C   -2.0391122600   0.5861939501  -1.0574108139
C   -2.6569609243   0.1725264921   3.2821579420
C   -5.8762733542   0.3730532906  -1.3210701225
C    0.7438127690   0.0127179345   0.1445381828
C    0.1695612104  -0.2703199312  -1.2710114976
C   -0.2286377877  -0.5467816277   1.1673197705
C   -5.7351341632   0.7634280562   1.8808675865
C   -6.9577149450  -0.0292241398   2.2668474635
C   -6.1538930304  -0.9756183530  -1.5392261723
C   -6.9386864023   1.2318065074  -1.0548093861
C   -7.4547094796  -1.4525657046  -1.4830187874
C   -8.2450880853   0.7592873438  -1.0051300233
C   -8.1033258255   0.8834058952   2.6683897426
C   -6.6090822954  -1.0159788266   3.3859265413
C   -8.5080248043  -0.5858695296  -1.2150057964
C    3.1728623132   0.0704408379   0.4904005504
C    4.3725835554  -0.8398818076   0.5434795820
C    5.6659095124  -0.3633381657   0.6763045643
C    6.7193513973  -1.2925183881   0.7907927398
C    5.0898891120  -3.0095497897   0.5678521107
C    6.4170687723  -2.6426039681   0.7328043242
C    6.5101163829   1.5469786835  -0.4155737102
C    4.7580499514   0.6521119047  -3.5420904366
C    5.7385122431   0.4992423769  -2.4086658568
C    3.3241043026   0.4756834880  -3.0427565017
C    4.9421250538   1.9874214678  -4.2594532297
C    9.0316484452  -1.6777747370   1.0880587652
H   -3.5146491144  -0.9085234094  -0.7202786915
H   -3.5091175898   1.5734121831   1.0616982144
H   -2.5623477181  -1.2703342843   1.6886312275
H   -4.1692618956   0.8477333360  -2.4763594676
H   -4.4643280817   1.9711080414  -1.1728680851
H   -1.8404341561  -0.2599031462   3.8598291117
H   -3.5810979056  -0.2311623904   3.6930977173
H   -2.6529690296   1.2524283669   3.4334226483
H    0.8456017860   1.0866961320   0.3007143934
H    0.4497393432   0.5219245618  -1.9653220273
H    0.5704481671  -1.2136605302  -1.6354195365
H   -7.2524553978  -0.6073826772   1.3851176009
H   -5.3490249723  -1.6664912617  -1.7611458355
H   -6.7467333750   2.2849015871  -0.8870763283
H    2.1011758440  -1.6045461270   0.1729541725
H   -7.6474698833  -2.5039659966  -1.6535654681
H   -9.0556533103   1.4454448978  -0.7962831060
H   -8.9903843234   0.2862853340   2.8798388068
H   -8.3632157184   1.5862951175   1.8770881661
H   -7.8687372302   1.4557762191   3.5668331989
H   -5.8492460653  -1.7355235479   3.0833690952
H   -7.4999775940  -1.5787194006   3.6645068702
H   -6.2551642666  -0.4963304887   4.2781431076
H   -9.5231602814  -0.9581945087  -1.1717596207
H    4.8298902678  -4.0591787519   0.5099089099
H    7.1741050426  -3.4097201339   0.8112139522
H    6.6376757840   2.5985949289  -0.1773065593
H    7.4723797934   1.1061163345  -0.6763927972
H    4.9821174533  -0.1556097398  -4.2410350910
H    3.1850761952  -0.4897639012  -2.5547124310
H    2.6378277416   0.5138638471  -3.8890657631
H    3.0385525255   1.2647770821  -2.3468655765
H    4.6686393242   2.8312839463  -3.6264740966
H    4.3044335110   2.0160565890  -5.1431397210
H    5.9711548622   2.1289944615  -4.5918668577
H    9.1579755915  -2.2920478855   0.1948230010
H    9.9147734087  -1.0591587329   1.2193533830
H    8.9180489461  -2.3241079883   1.9601907563
*