! 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   1.3749104182   0.3709925488  -1.9099448780
Cl   1.5877784836  -4.4709762203   0.2682872095
O   -1.7905496525   1.1453434732   1.1994542786
O   -0.7952592049   1.8102482071  -0.6689716723
N    1.6772121908   2.2257433241   0.8250888272
N    2.6657591608   1.3656472477   1.0805762755
N    3.3476000539   2.9388147496  -0.3586414919
C   -0.5525478830   1.1851857357   0.5460151117
C   -2.8246757265   1.1136255485   0.2116982545
C   -2.0569031783   1.3365563991  -1.0991005746
C   -3.6128348035  -0.1816220454   0.2509229361
C    0.3672249835   2.0664273567   1.3961303474
C    0.0044282537  -0.2341573595   0.3936110962
C   -4.7915527992  -0.1630521639  -0.7161281327
C    0.8500283472  -0.6631543105  -0.6267304717
C   -0.3140051739  -1.1628856317   1.3831819440
C   -5.5944687497  -1.4536673999  -0.6708037603
C    1.3342344526  -1.9645914381  -0.6722873677
C    0.1606527938  -2.4611447681   1.3674807888
C    2.0958201308   3.1539486049  -0.0395360144
C    0.9840610003  -2.8526530151   0.3264062614
C    3.6455533898   1.8319751633   0.3506051920
H   -3.4938870368   1.9551495545   0.4179511895
H   -1.9546902806   0.4059291391  -1.6718930349
H   -2.5081611113   2.0888116486  -1.7443881632
H   -3.9817473524  -0.3465878361   1.2674128664
H   -2.9527108791  -1.0219414710   0.0132538131
H    0.4769413387   1.6382323663   2.3914286112
H   -0.0884700400   3.0515473912   1.5007228239
H   -4.4381524840   0.0028830281  -1.7386817348
H   -5.4437609290   0.6827881001  -0.4791452687
H   -0.9614323312  -0.8683107169   2.1972932450
H   -4.9800469702  -2.3139883060  -0.9426454042
H   -5.9940815289  -1.6379355987   0.3282303730
H   -6.4381501048  -1.4219955031  -1.3613836625
H    1.9837576042  -2.2727523780  -1.4796616487
H   -0.1127896868  -3.1505431094   2.1539157694
H    1.4671275030   3.9563936747  -0.3917848695
H    4.6142789675   1.3573043102   0.3303276187
*