! 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  -0.4667979290  -0.0115191542   1.9277470776
Cl   3.8084501145   3.5511262135   0.5490134360
Cl   0.0265598820   4.1766635132  -1.3791433134
S    0.8029794962  -2.7941589867  -0.3848342803
N   -2.7730696305  -3.4459811047   1.0001166391
N   -1.5987744125  -1.4131930462  -0.4483640412
N   -2.6410197252  -3.3646881964   2.3270859768
N   -4.7031601230  -2.7390611388   1.6974790872
C   -1.6465770584  -3.7195516945   0.1565926958
C    1.5226510442  -1.5993359858  -1.5453367843
C   -0.9157664606  -2.4522757012  -0.2450486950
C    2.0843956140  -0.3281920470  -0.9726031055
C    2.2352852834   0.7643743877  -1.8213836533
C    2.5157830657  -0.2139688284   0.3427492472
C   -1.1366053226  -0.1295384214  -0.6887799744
C    2.7805111326   1.9544937949  -1.3690029200
C    3.0507954151   0.9737314630   0.8162117432
C   -3.9944907506  -3.0527278777   0.6418718842
C   -0.6373435672   0.6617226655   0.3484464968
C   -1.3006899138   0.4640269967  -1.9388855404
C    3.1708664424   2.0522017752  -0.0442428674
C   -0.2907488062   1.9871948401   0.1480911222
C   -0.9469202543   1.7819954133  -2.1611999571
C   -0.4440107991   2.5341369619  -1.1119133781
C   -3.8219955050  -2.9469143678   2.6944548020
H   -1.9858421788  -4.2197837620  -0.7513004789
H   -0.9897702758  -4.4162987152   0.6753125368
H    0.8054679683  -1.3985040875  -2.3397986847
H    2.3264400347  -2.1766445822  -2.0097271058
H    1.9148501188   0.6955763344  -2.8533480811
H    2.4146087443  -1.0459401219   1.0270473440
H    2.8769766152   2.7977582249  -2.0383017014
H    3.3626082429   1.0533541915   1.8485340107
H   -4.3266730299  -3.0294140964  -0.3833513704
H   -1.7090764454  -0.1236458524  -2.7502660014
H    0.1013638732   2.5759967074   0.9650635298
H   -1.0655420296   2.2129324698  -3.1454329004
H   -4.0643773579  -2.7908465372   3.7338243087
*