! 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   0.0435302692  -1.9374807319   0.1272978365
Cl  -7.4754528039   0.1933090263  -1.8326164786
O    2.7268497118  -1.0099973839  -0.6121503307
O    3.5543135937   0.8889919496   0.2160800067
O   -2.5401143649   2.4144686324   0.4011192809
N    4.0546483156  -1.4999314697   1.7865287132
N    5.2364140189  -0.9396998840   2.0529563139
N    5.4954991762  -3.0977019201   1.5100681482
C    2.5756914461  -0.0806957677   0.4198532769
C    3.5203719066  -0.4484317556  -1.6582071088
C    2.8315973918  -0.7456887882   1.7765758626
C    3.7350919962   0.9874558763  -1.1849589242
C    1.1775621039   0.5358232710   0.4072071889
C    4.8029400176  -1.2322619804  -1.8305589708
C    0.0092915951  -0.2083454159   0.2635099996
C    1.0262018498   1.9103557788   0.5777975858
C   -1.2476573675   0.3788952842   0.2512782245
C   -0.2107831653   2.5259380293   0.5596844888
C   -1.3521105141   1.7560912671   0.3834226603
C    4.2244110744  -2.7824916541   1.4554308912
C    6.0690826317  -1.9343030382   1.8796896558
C   -3.6643058716   1.8476938562  -0.1377694193
C   -3.6963015428   1.4082649823  -1.4545887019
C   -4.7984348482   1.7867685814   0.6555978401
C   -4.8718677844   0.8923998043  -1.9750389490
C   -5.9798020770   1.2844413855   0.1314984561
C   -6.0055264842   0.8338921809  -1.1782121567
H    2.9427427333  -0.4724387671  -2.5859458730
H    2.0143476195  -1.4192583192   2.0285585326
H    2.8763657301   0.0140090627   2.5561096330
H    4.7386547246   1.3646763877  -1.3814164056
H    3.0120607614   1.6776754035  -1.6333615786
H    5.4550258176  -1.1376238053  -0.9606275541
H    4.6013501477  -2.2907238565  -1.9985161212
H    5.3492084204  -0.8608370966  -2.6992076605
H    1.9032004164   2.5268193475   0.7209832660
H   -2.1254698516  -0.2449858929   0.1479826299
H   -0.2909041687   3.5981178671   0.6837801582
H    3.4054044539  -3.4350805628   1.1954843073
H    7.1317791644  -1.8193190023   2.0298382247
H   -2.8169201919   1.4669519911  -2.0834443089
H   -4.7657908275   2.1370165185   1.6791350943
H   -4.8985503231   0.5477324262  -2.9997432479
H   -6.8662712305   1.2407562634   0.7493985028
*