! 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   3.7249730514   4.0258485864   1.1233514109
O   -0.6366965242  -0.6609731415   1.1288372926
N   -1.4879908570  -3.0305106391  -0.3991318780
N   -0.4274031544  -3.3875141873   0.3320296705
N   -0.6016853139  -4.7008893997  -1.4652751724
C   -1.5854830447  -0.5910555487   0.0883122128
C   -2.5801951004   0.5477451103   0.4904824485
C   -0.9200728868  -0.3063482830  -1.2907376000
C   -2.3419865075  -1.9352577033   0.0115605415
C   -3.2829191305   0.2270518410   1.8158771614
C   -1.8149747063   1.8629101448   0.6803382555
C   -3.6557075837   0.7601263743  -0.5793758819
C    0.6007331991  -0.4883589710  -1.3718963449
C    1.3919170680   0.6252706817  -0.7392931874
C   -1.5780676253  -3.8214066729  -1.4673731451
C    2.1881049614   0.4193414792   0.3820539752
C    1.3500587211   1.9080816752  -1.2804825950
C    0.0752896263  -4.3907465274  -0.3466857837
C    2.9107721132   1.4534201134   0.9585543390
C    2.0599536709   2.9581275471  -0.7190472323
C    2.8342022111   2.7206322915   0.4049169240
H   -1.1449473762   0.7095785855  -1.6167928569
H   -1.3763037773  -0.9406909532  -2.0554238292
H   -2.7678162993  -2.1977484444   0.9796588950
H   -3.1548950661  -1.8886981081  -0.7100624222
H   -3.8816948287   1.0842602455   2.1307796756
H   -2.5746809443   0.0148161189   2.6168589866
H   -3.9708729150  -0.6172970067   1.7409604323
H   -1.3189565575   2.2022706599  -0.2297223165
H   -1.0562022669   1.7915857862   1.4587858170
H   -2.5120995036   2.6513496941   0.9727641912
H   -3.2410009407   1.0077286017  -1.5575987172
H   -4.3048731754  -0.1084541568  -0.7049571543
H   -4.3022065577   1.5915163830  -0.2906276649
H    0.8574490948  -0.5293616186  -2.4341258049
H    0.9153236147  -1.4487922510  -0.9600240741
H   -0.2033766579  -1.5261637396   1.1085250962
H   -2.3609473420  -3.7263877621  -2.2036416828
H    2.2556755707  -0.5674704458   0.8225023200
H    0.7522056237   2.1021265478  -2.1637443087
H    0.9589834563  -4.9154244188  -0.0184230581
H    3.5216074385   1.2689162531   1.8322443062
H    2.0098009923   3.9461422484  -1.1569461263
*