! 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   1.9844448352  -0.9227132080   3.2160434260
Cl  -3.9973662148  -0.7207588727  -3.7479943721
Cl   2.9151065780  -5.0167849632  -0.1269970739
S   -0.6250816041   2.4728538774   1.4031241188
N    1.9255403541   2.6785233025  -0.0003328820
N   -0.0597466669  -0.0810176719   1.1551219755
N    1.5332061241   2.7437238618  -1.2744155697
N    2.0877814602   4.7811812221  -0.5104555494
C    1.8322062503   1.4552656251   0.7451232665
C   -2.2573602825   1.6829641632   1.4798730665
C    0.4014881013   1.0931368726   1.0794227925
C   -2.6864502054   1.0881606072   0.1711663676
C   -3.0617288885  -0.2479838616   0.0973550457
C   -2.7274596302   1.8581348869  -0.9872417977
C    0.6944850146  -1.2093827188   0.8572100153
C   -3.4716108866  -0.8125537514  -1.1016690915
C   -3.1300244631   1.3107640708  -2.1946696280
C    2.2372832355   3.8977215184   0.4430725737
C    1.6472256685  -1.7374560363   1.7290960372
C    0.4367633836  -1.9060992330  -0.3231115504
C   -3.4969897687  -0.0256037374  -2.2406134875
C    2.3313641043  -2.9073863270   1.4389712530
C    1.1163043125  -3.0681343355  -0.6375473239
C    2.0610275164  -3.5607031010   0.2497353558
C    1.6543482884   4.0182527490  -1.5322220843
H    2.3986817072   1.5764805562   1.6693766383
H    2.3022405607   0.6532935793   0.1766487200
H   -2.9223935760   2.4956696781   1.7789385106
H   -2.2675460348   0.9435522736   2.2785910007
H   -3.0310676419  -0.8661555073   0.9848300227
H   -2.4337854916   2.8999619704  -0.9581885400
H   -3.7573572727  -1.8547217875  -1.1420138205
H   -3.1552271059   1.9211436960  -3.0869073857
H    2.5750677363   4.0857629246   1.4500831341
H   -0.3129881376  -1.5214022369  -1.0019534343
H    3.0659352076  -3.2941849497   2.1315501121
H    0.9052389555  -3.5826567123  -1.5643966691
H    1.4243383377   4.4190216472  -2.5065816787
*