! 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   0.6812470225  -1.5772487440   2.0302023737
S   -2.2431079269   1.0372476809  -1.5876131105
O    1.9733393725   0.5791047884  -0.3312504203
O   -0.8312998266   3.0177456915  -0.5817329090
O    2.8082035243   1.1645256689   1.6634101095
N   -0.5309324187   0.9305246244   0.3389120139
C   -0.9390318478  -0.3850802644   0.1539097029
C    0.4690610805   1.4001392562   1.2712429912
C   -1.9009977801  -0.5039645552  -0.8568126481
C   -1.0792741962   1.8384556249  -0.5311671375
C   -0.5356123135  -1.5522347154   0.7994191750
C   -2.4719456838  -1.7108150160  -1.2120399921
C    1.8858677807   1.0244835796   0.9020841677
C   -1.1049530403  -2.7697104445   0.4526140923
C   -2.0678153620  -2.8517399592  -0.5400193136
C    3.2621577901   0.1872789904  -0.8356286620
C    3.1189557407  -0.0342930873  -2.3199733712
H    0.4194911782   2.4900151484   1.2905955368
H    0.2480784734   1.0741627684   2.2844083418
H   -3.2134860705  -1.7629465807  -1.9976356525
H   -0.7833049816  -3.6653467178   0.9662013341
H   -2.4960896972  -3.8118783138  -0.7919567014
H    3.9978016145   0.9662612613  -0.6248634985
H    3.5791865644  -0.7260798163  -0.3257393237
H    4.0775634265  -0.3519133910  -2.7284197608
H    2.3858532337  -0.8093203652  -2.5468582415
H    2.8254531467   0.8826714508  -2.8329957572
*