! 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   0.5681236769   0.7359972353  -2.3560752633
Cl   2.9705315581   4.4398793917   0.6227967878
O   -1.3386118743  -0.5570354075  -0.5254855516
O   -0.7497988651  -0.9498569173   1.6072589668
N   -0.0471458663  -3.0326846169  -0.3564863310
N   -0.2479917907  -3.9377417532   0.6046341250
N   -1.2654220602  -4.5665105385  -1.2884635163
C   -0.2479759017  -0.6694502431   0.3361150467
C   -2.5668413702  -0.7638037505   0.1655659673
C   -2.1194174649  -1.2943436901   1.5260570814
C    0.6785090249  -1.8131211916  -0.1248026101
C    0.5570309732   0.6245648942   0.3818718373
C   -3.4072405129   0.5021977028   0.2109325718
C   -2.7778085778   1.6875070221   0.9256942101
C    0.9601790649   1.3043809072  -0.7668734886
C    0.9368644495   1.1645243551   1.6068254325
C    1.7004942949   2.4754511236  -0.7020537720
C    1.6748519791   2.3321556732   1.7001798983
C   -0.6644463689  -3.4173368727  -1.4770612075
C    2.0497449020   2.9807597208   0.5374234256
C   -0.9799750521  -4.8389966024   0.0006638921
H   -3.1285001369  -1.5310004264  -0.3745250294
H   -2.6501966483  -0.8293267617   2.3588353190
H   -2.2503012554  -2.3762306294   1.6078189862
H    1.4381650883  -1.9974953611   0.6334200992
H    1.1948093927  -1.5480361487  -1.0454075947
H   -3.6609964172   0.7854009497  -0.8140040356
H   -4.3543687698   0.2377331822   0.6904163746
H   -2.5362231961   1.4695897984   1.9674696149
H   -1.8652867123   2.0219934401   0.4324691888
H   -3.4685446314   2.5316091253   0.9305300282
H    0.6469204360   0.6672177726   2.5209445021
H    1.9967031483   2.9834974378  -1.6092845359
H    1.9483675629   2.7257118022   2.6692684085
H   -0.6393355474  -2.8425304709  -2.3895621040
H   -1.3162202599  -5.7313273253   0.5056429033
*