! 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   6.0144559924   1.5766591546  -0.4108834635
O   -2.3912288086  -1.1796399064  -1.4166380774
N   -2.5780472325   1.4765548413  -0.0745738376
N   -2.6360858529   1.6141604161  -1.4014058443
N   -2.4051766647   3.6099287273  -0.4307259843
C   -1.8504817816  -0.9004238361  -0.1420925644
C   -1.8245171145  -2.2088900064   0.6627676933
C   -0.3430826388  -0.5805528926  -0.3053798204
C   -0.7498715083  -3.0163389744  -0.0676804579
C    0.2933281062  -1.9754028506  -0.5165733744
C   -3.1526851523  -2.9270774670   0.9542294411
C   -2.6870378203   0.1746302092   0.5563036127
C    0.3018200389   0.1610780244   0.8762424190
C   -3.7719873641  -3.6711588507  -0.2252983189
C   -2.9688464431  -3.8879225843   2.1278278612
C    1.7318216894   0.5274661790   0.5891507377
C   -2.4452600242   2.6753914620   0.4912434876
C    2.7914816488  -0.0980049177   1.2377125517
C    2.0293789097   1.4971384954  -0.3673863954
C    4.1104742195   0.2190963567   0.9411156317
C    3.3379112617   1.8273585079  -0.6797006318
C   -2.5234351303   2.9083544543  -1.5705983915
C    4.3722586746   1.1785553156  -0.0216978587
H   -1.4129712674  -1.9316505966   1.6424957939
H   -0.2120736938   0.0430806391  -1.1946465918
H   -1.1754533385  -3.5255448532  -0.9337207751
H   -0.3146703322  -3.7891334338   0.5674502265
H    1.2110625546  -2.0684288733   0.0670857842
H    0.5828037042  -2.1285854430  -1.5564036580
H   -3.8758489953  -2.1701840490   1.2794772669
H   -2.3935676763   0.2963864499   1.5981441228
H   -3.7381156513  -0.1212674364   0.5511553718
H    0.2565832191  -0.4495980407   1.7814995400
H   -0.2446542642   1.0800890372   1.0977037346
H   -2.4434938548  -0.3397932706  -1.8980237388
H   -3.1409057271  -4.4963144415  -0.5620855829
H   -4.7293578030  -4.1057933608   0.0688081466
H   -3.9531594344  -3.0223158860  -1.0788386187
H   -2.2544280740  -4.6807365179   1.8928996368
H   -3.9117748300  -4.3709378632   2.3922212741
H   -2.6059600763  -3.3718630939   3.0192232118
H   -2.3802616710   2.8164505533   1.5592629296
H    2.5922517726  -0.8484793587   1.9933301083
H    1.2275470222   2.0120654362  -0.8844076270
H    4.9195495685  -0.2813540136   1.4562398979
H    3.5460712240   2.5812181239  -1.4273487851
H   -2.5271029249   3.3579423778  -2.5513532768
*