! 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  -3.3955235708   0.8574672397   2.0145323437
S    1.2625464681  -2.0367185384   0.7203589250
O    1.3135662308   1.0536477028   1.2464985256
O    1.2770754193  -3.4318026195   0.3380610779
O    1.0199125398  -1.6764014177   2.1037741947
O    2.9928284457   1.1509354963   2.7255219578
O    0.8212400902  -1.8194025030  -2.1878460585
O   -4.8176703666   1.8995213206  -2.6618616801
N    0.0611253244  -1.2538282914  -0.1284016806
N   -1.0490843811  -0.5721997015  -2.0568281073
N   -2.9277958505   0.6661986828  -2.3559416532
N   -2.1988379826   0.1563086440  -0.1707044003
C    2.7921200134  -1.3068318003   0.1879317968
C    3.2650305885  -0.1135200000   0.7398219084
C    3.5689429130  -2.0397471964  -0.6966210827
C    4.5346930279   0.3233795667   0.3863441579
C    4.8213616799  -1.5708383269  -1.0611696747
C    5.3035792439  -0.3918855591  -0.5193659487
C    2.5103591168   0.7473080353   1.6994153610
C    0.0019438808  -1.2624686897  -1.4928013155
C    0.4488249753   1.8497886302   2.0763820739
C   -2.0953647948   0.1090578090  -1.4883423440
C    0.7053029483   3.3269810396   1.9005444801
C   -3.9576810960   1.3183014357  -1.8586301593
C   -4.1882159529   1.4250509568  -0.4777833192
C   -3.2493357292   0.8097719502   0.3023422678
C   -4.6041444865   1.8244547726  -4.0718396513
H    3.2137261066  -2.9771036318  -1.0983119468
H    4.9213284468   1.2398841781   0.8117149638
H   -0.6628392416  -0.7523066765   0.3968547387
H    5.4199925545  -2.1395298908  -1.7592081168
H    6.2842361258  -0.0271609621  -0.7929502075
H   -1.0466359645  -0.5792570934  -3.0687139773
H    0.5416194093   1.5450208060   3.1191452569
H   -0.5549318769   1.5937279730   1.7440361892
H   -0.0259566695   3.8849105288   2.4868105297
H    1.6970755391   3.6177191751   2.2454538017
H    0.5946140348   3.6278102245   0.8584019745
H   -5.0386092786   1.9547878853  -0.0764460155
H   -4.6167793456   0.7932750290  -4.4238374000
H   -3.6630981648   2.2935877796  -4.3582207703
H   -5.4297146480   2.3692974863  -4.5208863580
*