! 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  -1.0648756156  -1.4665014852   2.4814504964
Cl  -4.3496463104   1.0478490022  -0.9285550135
O    0.7646635275  -2.8616438323  -0.8933767413
N    1.6045260853  -2.1573474628  -0.0841574217
N    3.8599571510   2.1119235067  -0.9958020132
C    1.9387131121  -0.2129995536   1.2439058226
C    1.0850419361  -1.0957421043   0.3761926337
C   -0.2786033253  -0.6203128527   0.0412651233
C    2.3190464426   1.0386339658   0.4985003994
C   -1.3248230368  -0.7022789923   0.9515450732
C   -0.5293701866  -0.0271005884  -1.1920419309
C    1.5319326354   2.1837224834   0.5122255333
C    3.4725108638   1.0665113218  -0.2795305167
C   -2.5835465014  -0.1970778803   0.6685927930
C   -1.7758942431   0.4867488435  -1.5035687403
C   -2.7906080936   0.3998410399  -0.5634764871
C    1.9251555987   3.2826343140  -0.2356744576
C    3.0951385191   3.1972302836  -0.9732277139
C    1.4394816411  -3.9795293185  -1.4365836997
H    1.3960923202   0.0464447172   2.1555132153
H    2.8324249295  -0.7623253418   1.5414612447
H    0.2681942349   0.0453619670  -1.9197651918
H    0.6240685959   2.2229142563   1.1024174376
H    4.1154531634   0.1918595653  -0.3177937960
H   -3.3830656856  -0.2719376216   1.3928337952
H   -1.9491898479   0.9481974923  -2.4656995551
H    1.3381905769   4.1909709132  -0.2472988087
H    3.4324338023   4.0399019022  -1.5663112810
H    1.7566343288  -4.6828717615  -0.6631822009
H    2.3091619670  -3.6826342003  -2.0279185041
H    0.7234676669  -4.4746298651  -2.0903160812
*