! 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  -2.7978227286   3.6089293869   0.0699533048
N   -0.7265910759  -2.5053703268  -0.4914661196
N   -1.8990812286  -1.9865123462  -0.8660056531
N   -2.1818758315  -3.4087847097   0.8390688093
N    1.9285357716  -1.8820221701   1.9172688473
C    1.1827842003  -0.8973986850  -0.3853049137
C    2.4444697476  -0.5128798677  -1.1994586480
C    0.5011383994  -2.0874914019  -1.1135348058
C    3.1218840301   0.8020515654  -0.8318431558
C    0.2024726832   0.2533641878  -0.2302129260
C    3.6595863384   0.9099172023   0.5895606523
C    1.6014055218  -1.4099751743   0.9211287178
C   -0.2251897195   0.9310619807  -1.3693208865
C   -0.3177960583   0.6306840625   0.9998545427
C    4.4755512751   2.1776925444   0.7930738863
C   -1.1429993961   1.9622976896  -1.2858145780
C   -1.2419156013   1.6615002059   1.1013534007
C   -0.9109539393  -3.3517315380   0.5288328421
C   -1.6475561928   2.3200592874  -0.0443633078
C   -2.7402671567  -2.5560684197  -0.0442407948
H    2.1514276761  -0.4691489522  -2.2511276456
H    3.1597083235  -1.3361684734  -1.1255096157
H    1.1852978805  -2.9344696624  -1.1596511293
H    0.2705318483  -1.7948197101  -2.1359462744
H    2.4416323661   1.6362306040  -1.0254966046
H    3.9515522534   0.9295476995  -1.5335941215
H    4.2757953944   0.0359070026   0.8211708769
H    2.8372125250   0.9043691410   1.3098618326
H    0.1526668497   0.6631903501  -2.3481209327
H   -0.0185390812   0.1279273006   1.9106440781
H    4.8395159649   2.2558089271   1.8184188520
H    3.8803823533   3.0700768334   0.5886516974
H    5.3447067185   2.2040119610   0.1326752865
H   -1.4605822073   2.4783503945  -2.1815367433
H   -1.6348902343   1.9389009357   2.0698476678
H   -0.1069390255  -3.8991795738   0.9955346827
H   -3.7997476820  -2.3562040517  -0.0856356394
*