! 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  -2.9613471378   1.3677400366   1.9631809656
S    1.3068548001  -2.0308294358   0.9401064839
O    2.4684922143   1.4871907529   2.1121759295
O    1.4557717287  -3.4671558324   0.8526961443
O    1.1409562005  -1.4003395984   2.2373430551
O    0.8746329600   1.2731034460   0.5504521912
O    0.5534411358  -2.5431926781  -1.8615588707
O   -4.8260511581   1.5148892655  -2.6703570806
N   -0.0475539827  -1.5645073786   0.0959320538
N   -1.2596692386  -1.2027877198  -1.8546087053
N   -3.0414872893   0.1504785665  -2.2672234239
N   -2.1366845328   0.0290940164  -0.0907771576
C    2.6738952983  -1.2637950164   0.1173421365
C    2.9177745022   0.0990519274   0.2933176214
C    3.5387084882  -2.0611352105  -0.6147585359
C    4.0504894834   0.6525712303  -0.2839039775
C    4.6592724147  -1.4886852037  -1.1979364942
C    4.9128245226  -0.1372421801  -1.0326959536
C    1.9589105956   1.0043993364   0.9997819214
C   -0.1956890773  -1.8199929242  -1.2396187030
C    1.6410634686   2.3599333332   2.9126688983
C   -2.1800445081  -0.3034358214  -1.3682779118
C    1.6548673285   3.7836992673   2.4119079272
C   -3.9338449546   1.0210654911  -1.8399626778
C   -3.9826667908   1.4647337913  -0.5094769235
C   -3.0350443655   0.9158163288   0.3084879441
C   -4.8079254721   1.0990314531  -4.0370645177
H    3.3551206293  -3.1193835798  -0.7294860668
H    4.2580960537   1.7073509880  -0.1622110453
H   -0.6613602701  -0.8551331597   0.5198331239
H    5.3341486504  -2.1054130557  -1.7745056642
H    5.7878238937   0.3100225947  -1.4836860941
H   -1.3480802501  -1.4193581983  -2.8389106975
H    2.0735113698   2.2956611136   3.9085932907
H    0.6267858358   1.9611724116   2.9572801977
H    1.1760113155   3.8871132491   1.4394620029
H    1.1057941514   4.4057428360   3.1196654954
H    2.6706115624   4.1735705558   2.3461317827
H   -4.7135581393   2.1832042845  -0.1716857230
H   -4.9609369516   0.0248888200  -4.1300422276
H   -3.8751879053   1.3780552407  -4.5251952064
H   -5.6327810314   1.6224222058  -4.5109633656
*