! 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   1.5238821832   1.7513808567   1.9757093818
Cl   4.4148999953  -0.5208589695  -1.8793970447
O   -1.8662028594  -0.6893549140   0.2818888554
O   -0.9711612615   0.1489301939   2.1311642438
N   -1.3933341635   1.9240766434  -1.0250632264
N   -0.3458091100   2.5956346133  -1.5144633860
N   -1.5623066791   1.7143733793  -3.1817487421
C   -0.9736684904   0.2833700708   0.7439041769
C   -1.8409950337  -1.7939068264   1.1921681116
C   -1.0240489577  -1.2465883256   2.3738389785
C   -3.2676712645  -2.1793955853   1.5410520866
C   -1.5285542636   1.6659853413   0.3851543056
C    0.4107148215   0.0640454174   0.1337861667
C   -3.3657268874  -3.4412973689   2.3943148363
C    1.5614401317   0.6880546650   0.6095287024
C    0.5425395328  -0.7373718996  -0.9959041823
C   -2.9389878608  -4.7132464445   1.6735478548
C    2.7949699349   0.5106453297   0.0027163885
C    1.7602595071  -0.9296449134  -1.6263805492
C   -2.0963341670   1.3946850780  -2.0291674636
C    2.8803686275  -0.3007881141  -1.1149053420
C   -0.4953534684   2.4442898377  -2.8035348825
H   -1.3186906303  -2.6323024500   0.7215185423
H   -1.4972422578  -1.4087071741   3.3421347562
H   -0.0196289149  -1.6792327128   2.4058557847
H   -3.8312559612  -2.3299939098   0.6152959052
H   -3.7374869202  -1.3424970008   2.0664067388
H   -0.9965878824   2.4475658304   0.9218299813
H   -2.5801851072   1.7192714922   0.6661921103
H   -4.4021623273  -3.5491906816   2.7208464262
H   -2.7789777791  -3.3231582312   3.3103829904
H   -0.3288330146  -1.2278909507  -1.4058427295
H   -1.8867062336  -4.6964343194   1.3866512963
H   -3.0826553380  -5.5874281273   2.3091410423
H   -3.5250615294  -4.8670153567   0.7656895617
H    3.6726374010   1.0049651939   0.3948812253
H    1.8253993085  -1.5600863741  -2.5018730843
H   -2.9889147452   0.8088645333  -1.8791163316
H    0.1949808120   2.8866574417  -3.5045379528
*
