! 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  -4.8124168061  -0.4964707628   1.4290426179
S   -1.8083408403  -1.3824449302  -0.3256759187
O   -1.4791022350  -1.4723142903  -1.7314270225
O   -2.6328070011  -2.3848602153   0.3016589770
O   -1.1173857196  -1.0895452867   2.5434658943
O    3.4193530168  -1.1547443415  -1.7685286505
O    5.6760265594  -1.1793911311   2.2919106582
N   -2.0055521019   1.3329998396  -0.4378610533
N   -0.8591741897   1.4712928835  -1.0896133179
N   -3.8987423464   1.8367708083   0.6100153463
N   -0.3334057036  -1.2913529957   0.4199961258
N    1.1193741091  -1.1137377771   2.2179136732
N    2.2606138019  -1.1447928788   0.1955617196
N    3.3950851120  -1.1431623485   2.2605002033
C   -2.5390863397   0.1508839949   0.0045249917
C   -0.5423318514   2.6909110287  -1.4249513398
C    0.7192205953   2.8835670843  -2.2034777325
C   -2.8617259115   2.3276411597  -0.0556052801
C    0.4551311542   3.0222128029  -3.7070157192
C   -1.3622428688   3.8115823286  -1.1087863959
C   -2.5188797353   3.6403730974  -0.4169631912
C   -3.7022853342   0.5226387211   0.6526227291
C   -0.1055393064   1.7620992756  -4.3457718305
C   -0.1843757274  -1.1618454922   1.7764613159
C    2.3049772297  -1.1373353620   1.5169171540
C    3.4226063859  -1.1563085524  -0.4480428470
C    4.5480730391  -1.1623559235   1.6069149489
C    4.6355810541  -1.1672325523   0.2183357035
C    2.1693142543  -1.1868085469  -2.4528007765
C    5.6172373746  -1.1859968037   3.7158023210
H    1.2240940283   3.7811288050  -1.8405361616
H    1.3910416765   2.0432467211  -2.0203827346
H    1.3994672469   3.2867580672  -4.1875587343
H   -0.2209113339   3.8633354279  -3.8849160206
H   -1.0440560711   4.7987302251  -1.4143026137
H   -3.1656445733   4.4611947521  -0.1419050810
H   -1.0796711950   1.4869497854  -3.9395484199
H   -0.2278428537   1.8962854289  -5.4212399429
H    0.5617898168   0.9109169742  -4.1969282879
H    1.2167054485  -1.0602303990   3.2235161726
H    5.5821723035  -1.1816311558  -0.3017981794
H    1.5406287015  -0.3325015255  -2.1961332854
H    1.6256200413  -2.1113289886  -2.2539043855
H    2.4132245086  -1.1456486243  -3.5109845017
H    5.1352785357  -0.2887721709   4.1042848790
H    6.6507554994  -1.2104723374   4.0513707296
H    5.0966491065  -2.0657979149   4.0941560822
H    0.5158249917  -1.2458281558  -0.1617824720
*