! 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  -0.4454014994   1.1036100400  -2.3904192695
Cl   3.7300048559   2.6090401031   0.5520959575
O   -2.4265017790   0.0190769899  -0.4495821730
O   -1.6803072529  -1.1183353337   1.3401146080
N    0.1341643873  -2.5756387298  -0.5215302330
N    0.2033639719  -3.3925942705   0.5309347533
N    2.2159872357  -3.1788001245  -0.4280082769
C   -1.3280408310  -0.6735989241   0.0610899209
C   -3.2929324594   0.3633359997   0.6288067194
C   -3.0352962501  -0.7823039677   1.5929254725
C   -1.0765830388  -1.8785362070  -0.8652690076
C   -0.0773033996   0.1971958752   0.1693489062
C   -2.9967714946   1.7385111615   1.2060198589
C   -3.0739561003   2.8523042027   0.1750799239
C    0.3852093437   0.9993459295  -0.8720031203
C    0.6934965071   0.1583239273   1.3282790171
C    1.5480293069   1.7478490144  -0.7621437651
C    1.8609963445   0.8890560799   1.4634818119
C    1.3425337044  -2.4502416934  -1.0776494395
C    2.2773503673   1.6844447217   0.4112454664
C    1.4666967123  -3.7316101554   0.5462902645
H   -4.3126015239   0.3394953941   0.2369153079
H   -3.1401727130  -0.5010973744   2.6416703034
H   -3.6911804220  -1.6360911277   1.3950096844
H   -0.9939677355  -1.5528909662  -1.9005466366
H   -1.9172806569  -2.5697879984  -0.8023293274
H   -3.7298230625   1.9195411854   1.9973405164
H   -2.0171171830   1.7444014609   1.6935563922
H   -4.0612372602   2.8985781208  -0.2893857773
H   -2.8851424983   3.8217691013   0.6372427818
H   -2.3401158752   2.7207101550  -0.6201192915
H    0.3799439652  -0.4612187736   2.1557209876
H    1.8781577136   2.3660490869  -1.5855087041
H    2.4336013656   0.8312604311   2.3786161106
H    1.5294506216  -1.8378776779  -1.9462605866
H    1.8639052017  -4.4102536475   1.2852441499
*