! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   0.9292249584  -1.9229276257  -1.5498471002
S   -2.5555940252   1.2794936234   0.9251269467
O    1.7952867889   0.4247194634   0.6757900851
O   -0.8974460120   3.0585697469  -0.0834681581
O    3.0772090057   0.8868900213  -1.1052623455
N   -0.4828968840   0.8432093431  -0.5482800830
C   -0.9732151601  -0.4206300695  -0.2435535482
C    0.7200371250   1.1441689610  -1.2904325144
C   -2.1236790906  -0.3646375255   0.5527336392
C   -1.1704594171   1.8879820396   0.0173925556
C   -0.4971682800  -1.6817342814  -0.5972928464
C   -2.7976981246  -1.4918302715   0.9816923951
C    2.0032541638   0.7999687866  -0.5686291816
C   -1.1685073401  -2.8208971609  -0.1750695251
C   -2.3092930505  -2.7314417719   0.6060122018
C    2.9236905759   0.0247871768   1.4754992031
C    3.6449976113   1.2071989021   2.0770037175
H    0.7111745001   0.6624597516  -2.2655157322
H    0.7318324353   2.2160532720  -1.4903336153
H   -3.6817078788  -1.4066696247   1.5991742001
H   -0.7870378450  -3.7916141580  -0.4606699768
H   -2.8121903381  -3.6341808986   0.9241352233
H    2.4920057476  -0.6005178549   2.2550175908
H    3.5979368397  -0.5963643074   0.8839419568
H    4.4122429159   0.8401797115   2.7599167587
H    4.1388647979   1.8192505119   1.3230923990
H    2.9662298211   1.8384946177   2.6512414427
*