! 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
S   -2.4631535852   1.7598762151   0.1592332039
O   -3.3424506248  -1.6849360429  -1.0793458675
N   -2.2588596465   0.2871445685  -0.6524258128
C    2.5597719204  -1.0849122222  -0.0753952448
C    1.4098301633  -0.7149623285  -1.0094796473
C    3.0572555138   0.0669308442   0.7910150126
C    0.1137484873  -0.3525917714  -0.2938070928
C    4.1717371093  -0.3197045215   1.7619174882
C   -0.9939396765  -0.0306237989  -1.2875213013
C    5.4557375686  -0.8459930169   1.1239008684
C    6.1240000719   0.1383681856   0.1746555038
C   -3.3297863744  -0.5697317248  -0.5735634455
C   -4.3872276826   0.0811778489   0.1865970099
C   -4.0482703656   1.3023307001   0.6254581085
H    3.3833455942  -1.4638702957  -0.6862917274
H    2.2526714469  -1.9184062830   0.5656538350
H    1.2163181146  -1.5583735136  -1.6794809780
H    1.7182187803   0.1168647985  -1.6519767278
H    2.2290096743   0.4706977957   1.3794383884
H    3.3872009925   0.8878326776   0.1459124375
H    0.2698101302   0.5069897703   0.3640475655
H   -0.2045588960  -1.1827751108   0.3433725788
H    3.7881821855  -1.0743433564   2.4563916751
H    4.4177214326   0.5530462964   2.3757160450
H   -1.1819206846  -0.8825390478  -1.9406318203
H   -0.7028851665   0.8018583888  -1.9322282549
H    6.1568242997  -1.0996348318   1.9238995484
H    5.2597597017  -1.7843529152   0.5978778201
H    7.0741576556  -0.2529640897  -0.1927221352
H    5.5070784315   0.3528998138  -0.6995572698
H    6.3326910131   1.0896478289   0.6695226908
H   -5.3386439090  -0.3949521755   0.3699299286
H   -4.6471421059   1.9862296493   1.2093084875
*