! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -4.9721039890  -0.1707415049   1.1750680030
S   -1.9807386720  -1.5626824734  -0.2396457947
O   -1.6651159182  -1.7746993664  -1.6357718581
O   -2.9373373219  -2.4027822845   0.4337710957
O   -1.2363219377  -1.1721344143   2.6153447084
O    3.1430479397  -1.3890258734  -1.8481535702
O    5.4744349966  -0.3397111358   2.0288095249
N   -1.7097944666   1.1505080890  -0.3465717093
N   -0.4941307939   1.0907300702  -0.8687524837
N   -3.5780958999   1.9732975842   0.5312139175
N   -0.5035348151  -1.6289936750   0.5095706096
N    0.9864343864  -1.1133278774   2.2105233282
N    2.0605292717  -1.2880643450   0.1578708600
N    3.2300475305  -0.7368187377   2.1271575944
C   -2.4868223470   0.0779598140   0.0050092960
C    0.0912935396   2.2365020663  -1.0867722990
C    1.4663909823   2.1833518817  -1.6784685765
C   -2.4053721968   2.2789539903  -0.0080759071
C    1.4611253294   2.0002242190  -3.1984668756
C   -0.5354032531   3.4805269953  -0.7989947092
C   -1.7839350619   3.5111026576  -0.2607759097
C   -3.6245386974   0.6450571139   0.5486451226
C    0.8133680598   3.1497330819  -3.9532384554
C   -0.3247208403  -1.3001085593   1.8309276533
C    2.1378685636  -1.0492339598   1.4557168558
C    3.1848247807  -1.1886148474  -0.5440441031
C    4.3470826341  -0.6512208618   1.4185836193
C    4.3954375004  -0.8680184892   0.0449209832
C    1.9007873877  -1.7470740956  -2.4507785845
C    5.4516691196  -0.0838156264   3.4306325317
H    2.0004492063   3.1005848766  -1.4217537792
H    2.0153377555   1.3625983221  -1.2150852138
H    0.9570829652   1.0634711401  -3.4494583158
H    2.4979907396   1.8877407367  -3.5228033016
H   -0.0027530732   4.3981921910  -1.0045818884
H   -2.2946172939   4.4318913673  -0.0177751394
H    1.2982653122   4.1013957642  -3.7265961446
H    0.8870142291   2.9944402462  -5.0301827995
H   -0.2474099461   3.2532746013  -3.7170859115
H    1.1093449737  -0.9065255199   3.1932845691
H    5.3111144080  -0.7866296508  -0.5221891593
H    1.1273604127  -0.9992618371  -2.2727014298
H    1.5535150697  -2.7206173909  -2.1022627700
H    2.0969319354  -1.8043352030  -3.5181036224
H    6.4772234490   0.1534026788   3.7011202047
H    5.1242555306  -0.9564319468   3.9957535608
H    4.8111442110   0.7637287909   3.6750968795
H    0.3352264834  -1.5905044480  -0.0909769406
*