! 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   -1.5635565759   2.1376341462   0.0467250332
S    2.1644788295  -2.3036636359  -0.9815061277
O   -2.3182780247   1.9436848060  -1.1744716128
O   -1.9799177641   3.1116120205   1.0306746936
O   -1.1357396927   4.9641333984  -0.9005016128
O    1.1578700921  -1.9775238832  -1.9829218877
O    1.7998440044  -3.0628785473   0.2025962730
O    0.2378358350   5.8012413482   0.6579491001
O   -0.4510232497   1.2210341575   2.6592603965
O   -0.6157402730  -5.5070585465   1.8681336100
O   -2.0445415817  -2.9415054402  -1.7257295858
N    2.7887794590  -0.8897378099  -0.4462427487
N   -1.5388083052   0.6308096670   0.7449723077
N   -0.7918577169  -0.9715005092   2.2462705708
N   -0.7342890886  -3.2381499318   2.0715367111
N   -1.4603710300  -1.9403455227   0.2425704201
C    0.1515357850   2.4116114999  -0.3601366187
C    2.2737226506   1.4466030492  -0.9535231217
C    3.0888758892   0.2309448639  -1.3149922032
C    0.9187817647   1.3083553543  -0.6822858271
C    0.7089730075   3.6890353431  -0.3326242723
C    2.8426543401   2.7093545746  -0.8848929739
C    2.0683702094   3.8185545322  -0.5765091387
C   -0.0845984239   4.9297050190  -0.1059898145
C    3.4743758151  -3.1731378031  -1.8071986820
C   -0.8955860749   0.3629108916   1.9321571289
C   -1.0144662396  -2.0961803268   1.4771306659
C   -2.0578966301   6.0420987586  -0.7307779862
C   -0.8906926342  -4.3289713784   1.3369150735
C   -1.6095376456  -3.0433736804  -0.4843241424
C   -1.3392451297  -4.3021604605   0.0221492837
C   -0.1522457324  -5.5613298435   3.2135519103
C   -2.3286360458  -1.6513636761  -2.2566181012
H    4.1533939750   0.4624825138  -1.2678986795
H    2.8800983359  -0.0380069732  -2.3523003335
H    0.4833926533   0.3182853083  -0.7065900248
H    3.9012831518   2.8390332570  -1.0714090009
H    2.5270224199   4.7978351295  -0.5405419398
H    3.3077677856  -0.9509830676   0.4203750528
H   -1.7815786675  -0.1829324524   0.1583195984
H    4.2824260693  -3.3614792771  -1.1033819890
H    3.8410326780  -2.5823549425  -2.6446769495
H    3.0809026288  -4.1194647139  -2.1768870908
H   -2.4531835627   6.0688823151   0.2843565339
H   -2.8684709153   5.8521726441  -1.4280630367
H   -1.5947447623   6.9996690681  -0.9672713661
H   -1.4609051697  -5.1996966210  -0.5664564327
H    0.0124752238  -6.6147717131   3.4251174975
H   -0.8906647758  -5.1674806484   3.9122894317
H    0.7851931316  -5.0194833800   3.3408380891
H   -2.6558581606  -1.8201436207  -3.2793401360
H   -3.1333021301  -1.1574185813  -1.7100322575
H   -1.4434304950  -1.0158712663  -2.2734699662
H   -0.3833997547  -1.1530678361   3.1537550314
*