! 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  -0.3844857103  -0.1300550264   2.3012316888
Cl   4.0843073428   1.4430780436  -0.1567047608
N   -1.1854547056  -2.1357234621  -0.7452159705
N   -0.0177757078  -2.4550313348  -1.3085313279
N   -0.3321404053  -3.6443230353   0.5678635655
C   -1.8231902490   0.2411984814  -0.4558003466
C   -2.6510369558   1.3516325163  -1.1088272076
C   -2.0080513584  -1.0579448283  -1.2491002162
C   -0.3574412849   0.5757951356  -0.3355197764
C   -2.5717764076   2.7030460867  -0.4076468638
C    0.3746362887   0.4168230315   0.8377774361
C    0.3483107880   1.0152830563  -1.4544056753
C   -3.0289008305   2.6790685706   1.0434775994
C    1.7358189951   0.6805482579   0.9087462651
C    1.7034206827   1.2875424616  -1.4215041014
C   -1.3500468596  -2.8405367719   0.3735026548
C    2.3880245373   1.1143473110  -0.2296899285
C    0.4500631800  -3.3610433907  -0.4901119803
H   -2.2308840272   0.0646729040   0.5405107641
H   -2.3543646072   1.4714318778  -2.1548601573
H   -3.6935062295   1.0195151134  -1.1310941433
H   -1.7514489793  -0.9212909685  -2.2985879202
H   -3.0520011092  -1.3676497870  -1.2046888554
H   -1.5520204646   3.0934952536  -0.4646017928
H   -3.1926946567   3.4071579133  -0.9665878092
H   -0.1758099420   1.1465224306  -2.3927100246
H   -2.3705507040   2.0814354258   1.6760171859
H   -4.0361751884   2.2676889508   1.1366151874
H   -3.0458969950   3.6855839727   1.4630595753
H    2.2724388267   0.5471756140   1.8375636773
H    2.2147263353   1.6257983906  -2.3117913843
H   -2.2234365371  -2.7517374725   0.9997744547
H    1.3967190905  -3.8463848208  -0.6690551135
*