! 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   5.9185409478   0.0709000331  -0.3152693795
O   -2.6852905444   0.0952942649   1.6815620525
N   -2.1354121086  -1.7671277977  -0.4707000172
N   -2.2877570302  -2.6516602558   0.5156681922
N   -0.6076181487  -3.2673491290  -0.8309664366
C   -3.1450115912   1.9022862178   0.0329876766
C   -2.4339695889   0.5604670433   0.3847104772
C   -2.3490028620   2.3670023763  -1.1923753860
C   -0.9715557074   0.8621528687   0.0960829463
C   -0.8920056914   1.9998874344  -0.8855118237
C   -2.9234759493  -0.5638740600  -0.5537251415
C   -2.9469195683   2.8944397777   1.1826683409
C   -4.6366066760   1.7719793573  -0.2455020671
C    0.0108879226   0.1450629718   0.6506993070
C    1.4522528948   0.2075876482   0.4158630020
C   -1.1265982884  -2.1432907666  -1.2612268469
C    2.2187776248  -0.9003448932   0.7952340963
C    2.1223238383   1.2836231158  -0.1744028726
C   -1.3547917618  -3.5329731742   0.2588120974
C    3.5837204186  -0.9546814103   0.5757236943
C    3.4896034226   1.2479628200  -0.3938970828
C    4.2121859257   0.1245297548  -0.0254985583
H   -2.4755804060   3.4343733791  -1.3799976417
H   -2.6937258894   1.8528224078  -2.0933478204
H   -0.3763503143   2.8545941511  -0.4403645125
H   -0.3271872606   1.7366020595  -1.7838025623
H   -2.8990673196  -0.2370865271  -1.5917246469
H   -3.9549391999  -0.8244698425  -0.3172400507
H   -3.5101952209   2.6061019016   2.0721283752
H   -1.9007695714   3.0111398840   1.4767805247
H   -3.3064551471   3.8817452184   0.8873229398
H   -5.0722660408   2.7563566821  -0.4290626219
H   -4.8550009735   1.1630608081  -1.1242328937
H   -5.1676944156   1.3379160446   0.6044904557
H   -2.2311736736   0.6657909347   2.3115563086
H   -0.2850321468  -0.6430721817   1.3383316562
H   -0.8166328000  -1.5803791302  -2.1277384343
H    1.7338739410  -1.7479335931   1.2639872559
H    1.5914728484   2.1790302935  -0.4593161394
H   -1.2101417329  -4.4056198082   0.8771008493
H    4.1471998253  -1.8299277968   0.8697993044
H    3.9836353088   2.0956387124  -0.8493318830
*