! 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  -0.6529080264  -0.4148692096   2.4637577727
Cl   1.7196602422  -4.1505848499  -0.4999759387
O   -1.8258459838   1.4929030084   0.4665092424
O   -0.6300230614   1.9760983292  -1.3710262133
N    1.7506087323   2.1614680586   0.4852939783
N    2.2829681956   2.6087981402  -0.6527221174
N    3.7909492848   1.4253151488   0.5050390532
C   -0.5425904305   1.4458720473  -0.0780245657
C   -2.7662226365   1.5654003502  -0.6021406377
C   -1.9733940790   2.3478584351  -1.6375290976
C   -3.2232750362   0.1967612536  -1.0840791444
C    0.3577684705   2.3394911613   0.7954464844
C    0.0086956807   0.0218800027  -0.1589433853
C   -3.8260906879  -0.6725426070   0.0113214943
C   -0.0062087104  -0.8622198341   0.9179159425
C    0.5966882584  -0.4271244362  -1.3380670244
C   -4.1729617868  -2.0678141105  -0.4843847939
C    0.5113875326  -2.1454096750   0.8227729248
C    1.1259387048  -1.6999859403  -1.4605449078
C    2.6572967311   1.4489471067   1.1605415969
C    1.0725465333  -2.5536769657  -0.3736613400
C    3.5061512826   2.1477890156  -0.5963896074
H   -3.6218509705   2.1352422241  -0.2327149969
H   -2.2209012484   2.0795968204  -2.6657571175
H   -2.1039436080   3.4280130625  -1.5196287416
H   -2.3935674071  -0.3326003632  -1.5645415659
H   -3.9676922219   0.3635024501  -1.8693956516
H    0.2206380543   2.1041931132   1.8486738454
H    0.0823669955   3.3842854817   0.6503578160
H   -4.7236216153  -0.1881461842   0.4085078794
H   -3.1280104196  -0.7539175108   0.8470007344
H    0.6420922093   0.2315853212  -2.1927677245
H   -4.8777664570  -2.0381788341  -1.3178308257
H   -3.2811413244  -2.5969540136  -0.8271780614
H   -4.6249606597  -2.6690560606   0.3058440372
H    0.4791621648  -2.8113905570   1.6739795010
H    1.5722518772  -2.0146580797  -2.3936026613
H    2.4515317051   0.9842587024   2.1126113956
H    4.2240995467   2.3424826132  -1.3779829521
*