! 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   1.9496110159  -0.9109621244   3.1570896365
Cl  -3.7931214698  -1.0783914817  -3.6309435763
Cl   2.5985352839  -5.0844885460  -0.1544184537
S   -0.5851780453   2.5843269747   1.3143290902
N    2.0088396257   2.7494479764   0.0235524068
N   -0.0829035119   0.0173866935   1.1159659569
N    1.6651986541   2.9059079249  -1.2570244852
N    2.2223197391   4.8784274853  -0.3389566161
C    1.8549638196   1.4878817869   0.6906740828
C   -2.2351634040   1.8317221033   1.3941412369
C    0.4125025061   1.1753359676   1.0236330780
C   -2.6293311550   1.1197790896   0.1328199876
C   -3.0932238563  -0.1893152117   0.1896543962
C   -2.5423987736   1.7433717747  -1.1073310902
C    0.6158282350  -1.1441555838   0.8169884261
C   -3.4616315711  -0.8710244903  -0.9599475784
C   -2.9006704624   1.0761461428  -2.2683559561
C    2.3235320650   3.9314281827   0.5578063273
C    1.5492695399  -1.7168530791   1.6810105835
C    0.3060765587  -1.8349319125  -0.3551103526
C   -3.3550632577  -0.2307639304  -2.1834472345
C    2.1620848542  -2.9263253828   1.3932266750
C    0.9137568650  -3.0366257905  -0.6666677022
C    1.8392611096  -3.5748068703   0.2145183668
C    1.8163821065   4.1922440408  -1.4245934132
H    2.4340767399   1.5202940427   1.6145202306
H    2.2772990463   0.6989749225   0.0688248974
H   -2.8934491035   2.6811666185   1.5886815609
H   -2.2947181581   1.1720978877   2.2582505796
H   -3.1591268072  -0.6968077654   1.1431633437
H   -2.1762574369   2.7596984686  -1.1813714561
H   -3.8127149113  -1.8918991035  -0.8974339717
H   -2.8215689092   1.5717717932  -3.2262796786
H    2.6270811854   4.0463120579   1.5865878303
H   -0.4298066089  -1.4132996700  -1.0272451711
H    2.8816400814  -3.3484955315   2.0806942125
H    0.6609779379  -3.5473028424  -1.5852975027
H    1.6299322647   4.6609307097  -2.3777572009
*