! 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   1.7197760938   0.2889712763   3.2797814368
Cl  -4.2668029453  -1.4277979927  -3.7703645925
Cl   4.1140935285  -3.4741277620   0.2969675971
S   -1.7522437018   2.5456946826   1.3154077631
N    1.8658352366   2.0858642958  -0.1070206802
N   -0.2728423839   0.4048126442   1.0107962449
N    1.5371045736   1.8547907032  -1.3808605300
N    3.6447799287   1.1971848536  -0.9750962044
C    0.9027108002   2.6041986752   0.8219156890
C   -2.9582531980   1.1963232299   1.4757358286
C   -0.2688407665   1.6649314945   1.0241179492
C   -3.2777719433   0.5385543240   0.1670552970
C   -3.9180611499   1.2519972570  -0.8425534050
C   -2.9548258737  -0.7944567951  -0.0601041495
C    0.8174606595  -0.4298837878   0.8320602471
C   -4.2269269813   0.6563893674  -2.0544617063
C   -3.2580745328  -1.4084235332  -1.2668494773
C    3.1168813194   1.6780504196   0.1212949994
C    1.7793906112  -0.6413013922   1.8219208732
C    0.8998636501  -1.2062021910  -0.3246049020
C   -3.8896098299  -0.6736691190  -2.2562339936
C    2.7925211242  -1.5730411486   1.6695964661
C    1.9109520753  -2.1310675167  -0.5023900385
C    2.8507182113  -2.3099362473   0.5004412492
C    2.6313360380   1.3200601875  -1.8552854845
H    0.5526962242   3.5753878634   0.4705656818
H    1.3979694548   2.7757777301   1.7783698515
H   -3.8409923992   1.6800694735   1.8968586296
H   -2.5926914799   0.4821388564   2.2117869991
H   -4.1818410807   2.2912190248  -0.6879235545
H   -2.4571372343  -1.3676483179   0.7101194716
H   -4.7252462770   1.2230232668  -2.8290179753
H   -2.9983226362  -2.4455494311  -1.4292266210
H    3.6007948586   1.7732673437   1.0807982169
H    0.1516342278  -1.0740754200  -1.0943362265
H    3.5256514229  -1.7121325926   2.4517772143
H    1.9573150728  -2.7107382359  -1.4137400597
H    2.7077948079   1.0127611317  -2.8861590044
*