! 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   4.5966253061   3.8094402737   1.0542552032
O   -2.3662405452  -1.3548365237   1.3225654275
N   -1.1451325292  -2.8049536334  -0.9286435245
N   -0.9182490734  -3.4676970907   0.2101947234
N    0.5532386441  -4.0945160055  -1.3546702080
C   -2.1870704548  -0.7447510257   0.0645518030
C   -3.3512480320   0.2618484440  -0.2034901377
C   -0.9532321686   0.1879084033   0.0218875211
C   -2.7670978354   1.1658994927  -1.3059282116
C   -1.2336981121   1.1304988006  -1.1505870885
C   -2.2010830172  -1.8179953667  -1.0403176024
C    0.4469734145  -0.4308017769   0.0046716871
C   -3.6508140459   1.0878569128   1.0534384557
C   -4.6642433470  -0.3866692561  -0.6372193037
C    1.4998849796   0.6119749486   0.2622920459
C   -0.2628579652  -3.1893961910  -1.8459466693
C    1.7555323910   1.0573419129   1.5576614527
C    2.2238076234   1.1811282766  -0.7810754446
C    2.7024879006   2.0375152236   1.8115131958
C    3.1753358922   2.1647539977  -0.5494190101
C    0.1097395506  -4.2218884364  -0.0922361211
C    3.4059884052   2.5849324273   0.7497606508
H   -1.0110261769   0.7669665838   0.9490873621
H   -3.1684571952   2.1777218246  -1.2309965174
H   -3.0563167792   0.7961629785  -2.2923270848
H   -0.7646730104   0.7534032849  -2.0634414419
H   -0.8100502955   2.1194360747  -0.9760481408
H   -2.1064075882  -1.3745425871  -2.0308522492
H   -3.1493099742  -2.3539008216  -1.0146209335
H    0.6543858939  -0.9004316680  -0.9583002665
H    0.5237083306  -1.2061040622   0.7713293413
H   -4.3871831375   1.8547112403   0.8067479143
H   -4.0753305588   0.4776951696   1.8509729667
H   -2.7800389734   1.6050040511   1.4568032779
H   -4.6025242647  -0.8756042393  -1.6100112458
H   -5.0115538454  -1.1223483608   0.0913688245
H   -5.4415114489   0.3752565734  -0.7217119827
H   -1.8075543595  -2.1463825764   1.3655731361
H   -0.2503282048  -2.7898834134  -2.8477724475
H    1.2118114505   0.6289889336   2.3913564167
H    2.0507519059   0.8527537440  -1.7987371286
H    2.8900944205   2.3643626446   2.8253011485
H    3.7284827679   2.5919277001  -1.3747362126
H    0.5506170309  -4.8915079701   0.6289326993
*