! 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  -5.4613628954  -0.5337532618   0.5003462214
O    3.6145174411   0.5711361508  -0.1063299075
O    0.2902887001  -0.5989002554  -0.6174152115
N    1.1422161770   1.5474600981  -0.4397298542
N    1.4784618989   1.8549202156  -1.6960485644
N    0.7844001192   3.6783765867  -0.5993954122
C    2.9978163170  -1.5939412296   0.6841494336
C    2.6303262253  -0.4180958496  -0.2492533277
C    1.2379284479   0.1901846757   0.0426111226
C    1.9185447248  -2.6789526122   0.6788170506
C    4.2968316615  -2.2133281095   0.1593682228
C    3.2194526766  -1.1190759204   2.1226644875
C    0.7299516643   2.6446954999   0.2018277813
C   -1.0272325670  -0.5155392043  -0.2973808294
C    1.2487493202   3.1406486711  -1.7453081351
C   -1.5232845182   0.0040467958   0.8921490432
C   -1.9087678608  -1.0339941318  -1.2419815850
C   -2.8905209697  -0.0030876880   1.1346438950
C   -3.2698457696  -1.0437876601  -0.9995289193
C   -3.7563680574  -0.5255692123   0.1919408606
H    2.6001748060  -0.7977519523  -1.2797249695
H    1.0658935904   0.2407575101   1.1207782443
H    0.9937967602  -2.3685760659   1.1676968639
H    1.6705177106  -3.0122472984  -0.3303847292
H    2.2809388819  -3.5512876027   1.2265611112
H    4.1781034073  -2.5859742878  -0.8611390786
H    4.5917899685  -3.0607433036   0.7817670238
H    5.1240340254  -1.5035172940   0.1612503545
H    4.0312693396  -0.3960811130   2.2021665403
H    3.4798064771  -1.9688846596   2.7568552910
H    2.3270458280  -0.6668015018   2.5618002365
H    3.6475393233   1.0955847223  -0.9132610965
H    0.4136618318   2.6425740208   1.2333314157
H    1.4208716644   3.7158866550  -2.6417038953
H   -0.8806335415   0.4073697791   1.6621824638
H   -1.5243967355  -1.4361067810  -2.1705752697
H   -3.2645095269   0.4008842793   2.0654659115
H   -3.9434038502  -1.4510503506  -1.7412638060
*