! 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
Cl   0.7528524043   0.5317802233   2.3862131044
Cl  -7.1348850551   1.8876559864   0.5437193228
O    3.9461264730   0.2564888538  -0.8028574408
O    3.3172575170   1.3654763823   1.0422383109
O   -2.2337912092  -0.5284339983  -1.5652971940
N    3.0383157824  -2.2411738115   0.6532135168
N    3.5826992376  -2.7883205825  -0.4361079125
N    1.7126085830  -3.8873879506   0.1437195469
C    3.0949419300   0.1957449698   0.3098673137
C    4.5311464162   1.5587396286  -0.8929449145
C    3.5002149086  -0.9932465493   1.1983961998
C    3.6922607155   2.3532157228   0.0967072533
C    1.6454286405   0.0726683956  -0.1595723525
C    6.0036402728   1.5028463981  -0.5442301844
C    0.5522745662   0.1896683017   0.6967860760
C    1.3657241941  -0.2427739444  -1.4866946875
C   -0.7530842592   0.0096112364   0.2664149919
C    0.0740687964  -0.4110005717  -1.9500827827
C   -0.9873845265  -0.2862956491  -1.0682297130
C    1.9193772031  -2.8949596615   0.9716021154
C    2.7575016836  -3.7678867209  -0.6965119320
C   -3.3423839616   0.0674419466  -1.0195263793
C   -4.4677690576  -0.7252098247  -0.8534954133
C   -3.3779430066   1.4206956287  -0.7108837221
C   -5.6423726517  -0.1637766567  -0.3783556405
C   -4.5480068222   1.9795093198  -0.2222756544
C   -5.6720081159   1.1843996485  -0.0599804364
H    4.3995233690   1.9262187106  -1.9127793627
H    3.0735396667  -0.8910017124   2.1936875297
H    4.5840374567  -1.0173652906   1.3028802275
H    4.2455453894   3.1386599571   0.6096738298
H    2.8128887598   2.7982407343  -0.3811730402
H    6.4576981170   2.4843833556  -0.6831772902
H    6.1622194365   1.2017956672   0.4929092925
H    6.5326381796   0.8006367171  -1.1890772183
H    2.1805531648  -0.3524020617  -2.1864892095
H   -1.5665597178   0.0903185308   0.9749083680
H   -0.1077782740  -0.6457891990  -2.9903150922
H    1.3080227365  -2.6325223254   1.8209507205
H    2.9226496572  -4.4363251235  -1.5267516774
H   -4.4328747843  -1.7776027204  -1.1025333325
H   -2.5089356043   2.0502997444  -0.8513242480
H   -6.5214791403  -0.7809257287  -0.2546486092
H   -4.5775288660   3.0327584948   0.0198954147
*
