! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.8740087308  -1.3477916897  -0.7273395307
S   -1.9336820958  -0.8049200966   1.2438919112
O   -2.7680321460  -1.9654635308   1.4437001846
O   -1.5767518131   0.0346665012   2.3676371302
O   -1.3427576057  -2.4265782808  -1.1367132022
O    3.4040395883   0.1562214558   2.0463738379
O    5.4553562404  -2.5237333939  -1.1407250307
N   -2.1498715223   1.3345153771  -0.4325046044
N   -1.0369550949   1.9039966943   0.0106524207
N   -3.9869369222   0.9641551371  -1.6287369084
N   -0.4735778304  -1.2434825103   0.5945077572
N    0.9044340560  -2.2876156221  -0.9561147884
N    2.1396220323  -1.0563044071   0.5785184316
N    3.1732049481  -2.4123883394  -1.0530376494
C   -2.6733941578   0.1435842368   0.0031988862
C   -0.7222775543   3.0400327729  -0.5468447812
C    0.4997632234   3.7335039948  -0.0414484489
C   -2.9756937851   1.7984969279  -1.4156954902
C    0.1464468336   4.9144032940   0.8659352602
C   -1.5092318431   3.6369268031  -1.5715502451
C   -2.6356645556   3.0208882208  -2.0149749674
C   -3.7991627435  -0.0393827545  -0.7774359093
C    1.3884488412   5.6315791420   1.3678018937
C   -0.3737839549  -2.0128864049  -0.5357608222
C    2.1230068882  -1.8959282614  -0.4423401667
C    3.3339358154  -0.6901535664   1.0320980165
C    4.3569463799  -2.0421804051  -0.5844029703
C    4.5114179448  -1.1609202596   0.4796023161
C    2.1952563867   0.6402551734   2.6258826462
C    5.3408467610  -3.4410150474  -2.2265358009
H    1.1205134555   3.0206633807   0.5036072804
H    1.0871385986   4.0889399350  -0.8914648547
H   -0.4432216228   4.5533264835   1.7118646551
H   -0.4896919858   5.6182726550   0.3229740730
H   -1.1921196765   4.5789835581  -1.9959654603
H   -3.2571064257   3.4299956087  -2.7980663200
H    1.1239518147   6.4660195238   2.0173980895
H    2.0317442231   4.9602452600   1.9390536536
H    1.9777760152   6.0298914025   0.5403711521
H    0.9528122416  -2.8921434058  -1.7655709773
H    5.4820941820  -0.8660252477   0.8496000352
H    1.6144935965  -0.1644811890   3.0769602117
H    1.5815925446   1.1733380991   1.8986241957
H    2.4983203005   1.3342286984   3.4044387291
H    6.3604347950  -3.6927931613  -2.5043426217
H    4.8372273697  -2.9928513574  -3.0821773150
H    4.8158980231  -4.3494165886  -1.9331667206
H    0.3921382303  -0.8568478624   0.9952005386
*