! 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   4.9774298518   1.3339343186   1.7682552531
O   -0.7650323339   0.0031091436   1.1004427617
N   -0.5707711632  -2.0756238517  -0.7730003954
N   -0.1784594897  -2.4412060354  -1.9984028179
N    1.1787111497  -3.3298978254  -0.4495594172
C   -1.6401303707   0.0912842698   0.0028738953
C   -3.0535012965   0.6385109427   0.3560640333
C   -1.1984351905   1.1514879994  -1.0295071849
C   -3.6282054607   1.0650515026  -1.0077226295
C   -2.4189084831   1.3109678984  -1.9308225198
C   -4.0156737048  -0.2280813409   1.1758414148
C   -1.7936920920  -1.3310823219  -0.5450646464
C    0.1171737120   0.9827081809  -1.7834661271
C   -3.4416205335  -0.6800972767   2.5154231079
C   -5.3148664688   0.5378279078   1.4187602413
C    1.3400121408   1.0694609410  -0.9101954494
C    0.2452460386  -2.6123214278   0.1319738178
C    2.2549511319   0.0262235834  -0.8386894554
C    1.5954076922   2.2132745224  -0.1539791590
C    3.3750983005   0.0954467110  -0.0221367836
C    2.7075057082   2.3051079060   0.6676230152
C    0.8732734092  -3.1806067532  -1.7502638760
C    3.5876335643   1.2357583408   0.7325404902
H   -2.8651749480   1.5460634001   0.9471797241
H   -1.1160023995   2.0824772649  -0.4510174268
H   -4.2487439832   1.9552482052  -0.9117798086
H   -4.2734848087   0.2802682542  -1.4103404886
H   -2.3916479367   0.5872231137  -2.7496832595
H   -2.4393848075   2.2986316263  -2.3924421985
H   -4.2738169372  -1.1200404842   0.5927399973
H   -2.3359233030  -1.3264838389  -1.4884584096
H   -2.3862018233  -1.9230330020   0.1521131649
H    0.1621017829   1.7889340598  -2.5233047208
H    0.1252144761   0.0524827705  -2.3527773500
H   -0.5666905920   0.8963365599   1.4025894342
H   -2.5567290086  -1.3054963247   2.4120143104
H   -3.1682834432   0.1771787105   3.1360241820
H   -4.1857478858  -1.2585635657   3.0670583283
H   -5.1235874552   1.4719854233   1.9526231780
H   -6.0041441705  -0.0519782535   2.0252731740
H   -5.8310560079   0.7853619372   0.4910423281
H    0.1170418098  -2.4829736101   1.1931121151
H    2.1042614477  -0.8620629017  -1.4375613142
H    0.9201129485   3.0592827898  -0.2025747467
H    4.0684662697  -0.7333025468   0.0206195961
H    2.8835188560   3.2018495142   1.2458569656
H    1.4365039564  -3.6411222356  -2.5465204317
*