! 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   5.0956327208  -0.9729421111  -0.8364973319
N   -3.8199906273   0.6411528906   0.1675539382
N   -4.3075015046   0.7588449608   1.4079657598
N   -5.6864365067  -0.4732241482   0.1365912297
N   -1.8865922494  -2.0408742018  -0.9382347285
C   -1.3236469076   0.3038530084   0.0689256275
C   -1.1037138143   0.1361705010   1.5932393237
C   -2.5553236005   1.2051442859  -0.2284950657
C   -0.1185225405   0.9465896263  -0.6165877358
C   -0.1998393398  -1.0228363905   2.0168422509
C    1.1532414208  -1.0478164239   1.3623166604
C   -1.6104811134  -1.0105574270  -0.5045810705
C    0.6118783473   0.3077664215  -1.6107832490
C    0.2661496856   2.2265441337  -0.2210657599
C    2.0457848093   0.0094574862   1.5287572851
C    1.5296109932  -2.1035235961   0.5410374545
C    1.7222339789   0.9196378058  -2.1750494014
C    1.3660788366   2.8435887160  -0.7951621135
C   -4.6508647830  -0.0978655687  -0.5714743252
C    2.1052119197   2.1880938309  -1.7697046334
C    3.2591389492   0.0364158748   0.8652006829
C    2.7473439593  -2.1011067879  -0.1264343180
C   -5.4206878497   0.0781171242   1.3359456306
C    3.5946187116  -1.0202462556   0.0319864502
H   -2.0680634635  -0.0076061793   2.0794421228
H   -0.7135833551   1.0825011125   1.9710702061
H   -2.4319436967   2.1577105371   0.2818419937
H   -2.6034760288   1.4066309149  -1.2971222460
H   -0.7111330924  -1.9695325052   1.8293625130
H   -0.0887849358  -0.9549906592   3.1018303405
H    0.3412685941  -0.6851190536  -1.9448222372
H   -0.2772067628   2.7537062405   0.5536533745
H    1.7845785008   0.8427784943   2.1696042994
H    0.8562606319  -2.9398394178   0.3974621989
H    2.2914328094   0.3941946093  -2.9302517107
H    1.6508173277   3.8354244497  -0.4694575602
H   -4.4735661017  -0.3159217172  -1.6126678097
H    2.9733634824   2.6624700309  -2.2077302185
H    3.9290996291   0.8762140917   0.9882510012
H    3.0178438958  -2.9263206848  -0.7709243363
H   -6.0739828135  -0.0222299239   2.1882439999
*