! 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   1.3621632035  -1.6799332615   1.7922037213
Cl  -8.1474378902   0.0019863455  -0.0231763476
Cl   5.9914158756  -2.4245632710  -0.8135126082
S   -1.4955422037   1.3533866741   0.2428974437
N    2.3236979948   1.9609452980   0.9251930613
N    0.6389064985   0.0551049727  -0.5633259707
N    2.6384717243   2.6975465648  -0.1434934771
N    4.4891124888   1.8703738230   0.8240124741
C    0.9560519137   1.7193817415   1.2844138248
C   -2.2032634055   0.0918306966  -0.8589975161
C    0.2003018185   0.9330028524   0.2350776890
C   -3.6865665947   0.0759391012  -0.6555739949
C   -4.5277762283   0.8197433063  -1.4751965227
C   -4.2436916512  -0.6784469766   0.3730448574
C    1.9287866495  -0.4601850404  -0.5575365970
C   -5.9021814546   0.8039781072  -1.2868066798
C   -5.6137921399  -0.7070642690   0.5744451317
C    3.4321938655   1.4709684586   1.4828410423
C    2.3761825367  -1.3370415596   0.4332805402
C    2.7769407114  -0.2220910779  -1.6387067021
C   -6.4322637471   0.0366519744  -0.2624011428
C    3.6186173816  -1.9457535359   0.3647716100
C    4.0258972121  -0.8082580052  -1.7194479339
C    4.4366008096  -1.6701509151  -0.7156045676
C    3.9422265848   2.6080340937  -0.1612195745
H    0.4614151293   2.6746660850   1.4654260103
H    0.9327943022   1.1731362170   2.2285303523
H   -1.7553820986  -0.8681259378  -0.6047718427
H   -1.9409486625   0.3280233559  -1.8888875837
H   -4.1136815195   1.4160611963  -2.2787722543
H   -3.6036764799  -1.2607028093   1.0245069769
H   -6.5459587757   1.3818480577  -1.9353753961
H   -6.0338591498  -1.3047068882   1.3716895795
H    3.4183728457   0.8531087990   2.3672319300
H    2.4442003778   0.4353231313  -2.4299222763
H    3.9372050220  -2.6194215045   1.1480139272
H    4.6654340866  -0.5967069896  -2.5649452340
H    4.5288655559   3.1043202684  -0.9179919335
*