! 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
O   -4.4398842504   0.7496601828   0.5956407444
O   -1.3343905213  -0.6167988371  -0.4121032978
N   -2.1272992988   1.5624017684  -0.5167030990
N   -2.1922904049   1.6510252310  -1.8458058581
N   -2.0682477606   3.6884874971  -0.9243288542
C   -3.9267325572  -1.6489418242   0.6568063574
C   -3.6605043947  -0.2665033237   0.0063718008
C   -2.2321263867   0.2792295338   0.1512302227
C   -3.3557800731  -2.7881061202  -0.1933375099
C   -3.3657416970  -1.7238322654   2.0769300307
C   -5.4469829852  -1.8478734024   0.7129832961
C    0.0038395588  -0.4771222386  -0.2208884704
C   -2.0634784183   2.7829579509   0.0214090218
C    0.8020519767  -1.3785629439  -0.9201830781
C    0.5985237131   0.4629485395   0.6112767021
C   -2.1456976807   2.9419623659  -2.0451671558
C    2.7975094416  -0.3935822190   0.0345202937
C    2.1762891650  -1.3367837422  -0.7879104649
C    1.9817209410   0.4961551306   0.7268477108
C    4.2667627282  -0.3407766408   0.1622619965
C    4.9357303185   0.8837569319   0.2121936488
C    5.0216902412  -1.5130775318   0.2348368388
C    6.3164396121   0.9344064172   0.3325661811
C    6.4023884862  -1.4624240173   0.3557487647
C    7.0559971793  -0.2384734535   0.4053534012
H   -3.8795774332  -0.3505023181  -1.0676408793
H   -2.0242405179   0.4664205643   1.2112079821
H   -2.2687155121  -2.8031959143  -0.2222390492
H   -3.6795293801  -3.7485039125   0.2121648393
H   -3.7151008463  -2.7356775504  -1.2244309554
H   -3.7088779468  -0.8923747367   2.6961210024
H   -2.2734670081  -1.7316206501   2.0959588031
H   -3.6923588691  -2.6443835276   2.5647554698
H   -5.9384720328  -1.1552048154   1.3974008733
H   -5.6769840659  -2.8566701786   1.0621279964
H   -5.9101752436  -1.7387647333  -0.2722080555
H   -5.3120152042   0.7510514495   0.1891405035
H   -2.0145461639   2.9583220287   1.0849836845
H    0.3400498389  -2.1076247579  -1.5742447254
H    0.0235050382   1.1724239003   1.1895269510
H   -2.1666861951   3.3648845662  -3.0376436015
H    2.7741143912  -2.0383053004  -1.3564031366
H    2.4219299604   1.2278569003   1.3927082736
H    4.3756774017   1.8077468523   0.1335456017
H    4.5258796606  -2.4761216650   0.2179652846
H    6.8157720137   1.8945111191   0.3613807517
H    6.9679995612  -2.3833842301   0.4187346477
H    8.1333613326  -0.1989991638   0.4999385254
*