! 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  -5.1880950693  -0.2871742363   1.0190926679
S   -2.0926493933  -1.6269385143  -0.1578723303
O   -1.8495468742  -1.9895609231  -1.5386818200
O   -2.9744426393  -2.4217598724   0.6598098524
O   -1.1518765579  -0.6245287607   2.4862531202
O    2.9407117488  -2.1648257769  -2.0091326947
O    5.4535429960   0.1280549726   1.1467889499
N   -1.9393427212   1.0891450087  -0.4839445738
N   -0.6993163388   1.0579026232  -0.9540281180
N   -3.8893265476   1.8704395008   0.2380439803
N   -0.5731349900  -1.5609172386   0.4971470588
N    1.0364117644  -0.6890067934   1.9192153285
N    1.9758731360  -1.4530699857  -0.0663051723
N    3.2480432795  -0.2997930508   1.5482415384
C   -2.6661925254   0.0067700247  -0.0630529966
C   -0.1718858689   2.2146813564  -1.2429652716
C    1.2513908519   2.2196475988  -1.6996825914
C   -2.7125563146   2.1976552104  -0.2774748568
C    2.1930005857   2.7311237017  -0.6054531338
C   -0.8821820855   3.4401483933  -1.0957032553
C   -2.1534792033   3.4402782663  -0.6171222757
C   -3.8597201759   0.5487333126   0.3765534994
C    3.6449298378   2.7301480801  -1.0539595967
C   -0.2974581402  -0.9443526461   1.6911133609
C    2.1303081898  -0.8333913091   1.0915442785
C    3.0506911232  -1.5613215345  -0.8415687571
C    4.3110705087  -0.4085802831   0.7631071579
C    4.2835316898  -1.0547693846  -0.4682273096
C    1.6650990639  -2.6524772104  -2.4193180397
C    5.5004943648   0.8474300809   2.3756060901
H    1.5371729294   1.2087675441  -1.9947059136
H    1.3430909982   2.8542898272  -2.5850683383
H    2.0802910620   2.1128778526   0.2885208577
H    1.9029158145   3.7431826478  -0.3106640761
H   -0.3974073497   4.3665409593  -1.3707233116
H   -2.7309660489   4.3441472827  -0.4858428819
H    3.8000832632   3.4026099953  -1.8997026859
H    4.3043625251   3.0576245496  -0.2489878888
H    3.9689604251   1.7349549231  -1.3630415720
H    1.2256728601  -0.2227743528   2.7969888786
H    5.1559673140  -1.1337710146  -1.1001791468
H    1.2762485590  -3.4023746623  -1.7296109104
H    1.8268035277  -3.1171277426  -3.3883909064
H    0.9421524942  -1.8433854775  -2.5348550180
H    5.2831711249   0.2051557323   3.2292670168
H    4.8098479464   1.6912027277   2.3777238187
H    6.5184004664   1.2192050543   2.4579332449
H    0.2229101658  -1.7026062103  -0.1435166199
*