! 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    0.2996026392  -0.1231843389  -1.3566492230
S    5.5806587206   2.1304209615  -1.0148544329
O    1.3947878448  -0.8353751632  -1.9782642983
O   -0.6516406905   0.5987528462  -2.1808918417
O   -1.5418957428   3.3826332802  -0.4462673485
O    7.0246991451   2.1368660593  -1.1979482782
O    4.8735371739   3.3855317881  -0.8055140470
O   -2.0302904377   1.3683568790   0.3939032043
O    1.0459766982  -2.0514798948   0.7628586924
O   -4.9803368569  -4.6086347829   2.5501148955
O   -4.9973463265  -1.4818097196  -0.8784419992
N    5.2033121008   1.1350805360   0.2512976610
N   -0.6358961043  -1.1888445629  -0.4967902858
N   -1.0593589386  -2.7700428744   1.1446379846
N   -3.0148058872  -3.6903413487   1.8434195972
N   -3.0281565902  -2.0960461228   0.1054877917
C    0.9832692545   1.0034608591  -0.1675938409
C    2.9463057044   1.7980101195   0.9683549538
C    4.3918936585   1.6331020056   1.3492996194
C    2.3200718615   0.8588932710   0.1572225079
C    0.2337252330   2.0809372572   0.3059145000
C    2.2113229476   2.8794652720   1.4281188390
C    0.8704866291   3.0204407308   1.1030905094
C   -1.2348288622   2.2145014086   0.0767341118
C    4.8711140005   1.3155933634  -2.4200096695
C   -0.1315121497  -2.0024773557   0.4802384034
C   -2.4291632048  -2.8462526566   1.0145499114
C   -2.9288364827   3.6636498060  -0.6550293161
C   -4.3330740079  -3.7835328663   1.7479981313
C   -4.3506116390  -2.2023139509   0.0180083867
C   -5.0809309852  -3.0493841577   0.8346641879
C   -4.2364502160  -5.3835245553   3.4859898433
C   -4.2590366114  -0.6101972841  -1.7312785220
H    4.4684091262   0.8787051938   2.1337819866
H    4.7748454173   2.5625272375   1.7764436809
H    2.8887129984   0.0239777514  -0.2286087111
H    2.6864226217   3.6337259737   2.0425574514
H    0.3205518266   3.8722249608   1.4803133760
H    5.9675594327   0.5273152873   0.5177420044
H   -1.6592806564  -1.1458047973  -0.6041793857
H    3.7918337138   1.2440461236  -2.3030265163
H    5.3014506260   0.3212099215  -2.5208532463
H    5.1021786571   1.9062725900  -3.3058844177
H   -3.4830188712   3.6514428786   0.2830880546
H   -3.3743728819   2.9537295918  -1.3515985131
H   -2.9679831202   4.6598545625  -1.0854443646
H   -6.1554546554  -3.1350722610   0.7640925395
H   -3.5339683693  -6.0522919961   2.9882494605
H   -4.9714185336  -5.9748795449   4.0258924168
H   -3.6938789880  -4.7546543809   4.1920754803
H   -3.5427424546  -1.1566400123  -2.3460363837
H   -4.9946399310  -0.1440446770  -2.3817220267
H   -3.7463704719   0.1658004387  -1.1631307067
H   -0.6667674731  -3.3652880249   1.8621771549
*