! 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  -6.4605974554   3.7468810735   1.1804823162
O    2.1306564069   1.0166269052   0.7912020020
O    4.3904233916  -2.4900195934  -0.7064042770
N    2.9296073467  -0.8235835184  -0.2283821296
N    2.2463814093  -3.0756710115  -0.2399830566
N    0.6562937294  -4.4866209274  -0.8109147946
C    1.7074751633  -0.2786273989   0.4417766809
C    3.9108871809   0.2605539629  -0.4763323827
C    3.0140976000   1.4661292784  -0.2062595897
C    0.5247329659  -0.2073419953  -0.5329352302
C    1.3560869858  -0.9849782935   1.7407669267
C    5.0565679601   0.2269575029   0.5335925202
C    4.4247686584   0.2855619136  -1.9077943056
C   -0.6617936008   0.5904512818  -0.0054756609
C    3.2829272160  -2.0999272331  -0.4047651682
C   -1.7922919801   0.6543278608  -1.0344376031
C   -2.9746953277   1.4208256506  -0.5151679710
C    2.2407781921  -4.0618255911   0.7159672570
C    1.2867308266  -3.3996527863  -1.1483217768
C   -4.0070739185   0.7739397147   0.1589772784
C   -3.0444483274   2.8053316242  -0.6488689926
C    1.2352921620  -4.9043283733   0.3569080919
C   -5.0807951931   1.4782292770   0.6834377650
C   -4.1088373907   3.5284622180  -0.1316289893
C   -5.1215459482   2.8549193846   0.5327059380
H    3.5702064419   2.3228266805   0.1743800556
H    2.4802146727   1.7836731670  -1.1110314736
H    0.1878074204  -1.2188390677  -0.7600176103
H    0.8581441304   0.2196769118  -1.4838504167
H    0.8174961442  -1.9160000610   1.5823406896
H    0.7099251476  -0.3397495977   2.3358352475
H    2.2484352195  -1.1893234360   2.3329463860
H    5.6652198846  -0.6687184700   0.4326209265
H    4.6861404497   0.2766094368   1.5586708081
H    5.7082026708   1.0874887358   0.3742241178
H    3.6104360742   0.1747576009  -2.6252294051
H    4.9024437931   1.2484778252  -2.0983837097
H    5.1631717771  -0.4892486386  -2.1015259434
H   -1.0478503150   0.1376787200   0.9118816092
H   -0.3542299084   1.6063446027   0.2534608192
H   -2.0989187773  -0.3604128849  -1.3017344314
H   -1.4220409079   1.1201514733  -1.9516190779
H    2.9176178307  -4.0586182969   1.5538844321
H    1.1204637724  -2.8195882754  -2.0427772888
H   -3.9801184361  -0.3028484121   0.2777849416
H   -2.2563811621   3.3360626819  -1.1701976768
H    0.8979633216  -5.7877677150   0.8759312559
H   -5.8749231394   0.9560182803   1.2001042509
H   -4.1460542177   4.6032453363  -0.2492411841
*