! 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  -0.1065146577   1.1171148959  -2.2470724746
Cl   4.4391404428   0.7871725507   0.5140098275
N   -1.2989780133  -2.0035185189  -0.1540801307
N   -1.3287616424  -2.6541483753   1.0087924652
N    0.2235719757  -3.5374185591  -0.3404309568
C   -1.5918381679   0.3547976969   0.4866375253
C   -2.3598129133   1.6511940360   0.1967597227
C   -2.0956465584  -0.8178079995  -0.3658250950
C   -0.0867091396   0.4994334254   0.4207748483
C   -3.8192694183   1.6048125639   0.6395052705
C    0.6558012266   0.8274721317  -0.7129098347
C    0.6443455849   0.2571352196   1.5836693431
C   -4.5224007932   2.9364681282   0.4259542373
C    2.0399653209   0.9216781431  -0.6959416962
C    2.0245784248   0.3405799218   1.6378275310
C   -0.3631052374  -2.5307023473  -0.9442092347
C    2.7139507793   0.6767180209   0.4866551700
C   -0.4046102553  -3.5682381626   0.8496014781
H   -1.8114304171   0.0901552805   1.5251813302
H   -1.8596784531   2.4679828511   0.7248278564
H   -2.3138030899   1.8998279858  -0.8652428985
H   -2.0725558979  -0.5900832878  -1.4296189658
H   -3.1273639471  -1.0525996900  -0.1083856373
H   -4.3604589412   0.8268384555   0.0941432798
H   -3.8703216060   1.3289394789   1.6972071661
H    0.1087716640  -0.0117476608   2.4851523926
H   -4.5198293840   3.2239037266  -0.6274030090
H   -4.0373756928   3.7381832980   0.9864107309
H   -5.5631237784   2.8925412669   0.7500268219
H    2.5804033317   1.1783013789  -1.5965607575
H    2.5468697676   0.1412506135   2.5632292627
H   -0.1540253027  -2.1605206443  -1.9360248831
H   -0.1763604379  -4.2869599997   1.6216026129
*