! 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
Cl  -4.2530847510   2.2459037605  -3.1721658142
O    2.0332474130   1.4677146432   0.2945479510
O    1.4276541159  -2.6533906266  -1.2255417594
N    2.0098073854  -0.7518701433  -0.1276116822
N    1.2735090611  -2.6550990825   1.0375317931
N    1.6367576443  -3.8038766579   2.8800740257
C    1.7107595202   0.2588423934   0.9408969064
C    2.5422617432  -0.0799975101  -1.3353939545
C    3.0118606857   1.2120000490  -0.6809072330
C    0.2173096498   0.2984505919   1.2618672358
C    2.5852117162   0.1084530705   2.1804610118
C    3.7139149153  -0.8215704081  -1.9592973086
C    1.4503345523   0.2123386416  -2.3633913405
C   -0.2103028306   1.4846242693   2.1184850465
C    1.5649374796  -2.0133624351  -0.2057325959
C   -1.7347051431   1.5688045542   2.2574164496
C   -2.4195817887   1.7491523852   0.9312487313
C    0.0959393347  -3.3015034837   1.3313037264
C    2.1721874306  -3.0174211792   1.9944982703
C   -2.3081919568   2.9519475127   0.2364201010
C   -3.1238312053   0.7099292386   0.3311798837
C    0.3373926255  -3.9799494479   2.4839100699
C   -2.8693988342   3.1149363072  -1.0200240779
C   -3.6943599238   0.8523043994  -0.9262098532
C   -3.5569431059   2.0567123732  -1.5945246481
H    4.0095063567   1.0946939540  -0.2381863219
H    3.0445709080   2.0497298290  -1.3772681266
H   -0.0755643748  -0.6211234780   1.7719432911
H   -0.3236781706   0.3185016658   0.3118970028
H    2.2303264621  -0.6691835742   2.8520537327
H    2.5734522704   1.0425019898   2.7415322990
H    3.6217607603  -0.1082500055   1.9226687901
H    4.2220100977  -0.1566004598  -2.6602400598
H    3.4041692258  -1.7033752636  -2.5151576600
H    4.4408895368  -1.1235548007  -1.2047266104
H    0.6488713315   0.8202509956  -1.9415548506
H    1.8751716483   0.7655100498  -3.2020666381
H    1.0116419609  -0.7005736782  -2.7599771218
H    0.2210102640   1.4062943288   3.1192320634
H    0.1592353997   2.4188408621   1.6903151038
H   -1.9776450743   2.4056159507   2.9168722463
H   -2.1097437139   0.6673552678   2.7482376832
H   -0.7870497497  -3.2002649580   0.7225705747
H    3.2009016595  -2.6943461055   1.9689456937
H   -1.7705721287   3.7829669041   0.6781163241
H   -3.2270054100  -0.2376305856   0.8466133233
H   -0.3543961228  -4.5830985755   3.0507228084
H   -2.7697447734   4.0566004343  -1.5431909587
H   -4.2329071794   0.0287420416  -1.3756677528
*