! 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 "WATER"
end
*xyz 0 1
Cl   0.3470355378  -2.3449440528  -2.3413185497
Cl   2.4726497296  -0.4978298055   2.2438697870
Cl   2.5971771075   2.5203041725  -2.1700578084
O    1.0340397008  -2.4739680395   0.4621508941
O   -1.3057009724  -0.1441199769   2.7696190561
N   -1.5832618650  -0.8352057548   0.6208699628
N   -1.4870907957   1.4458774936   1.1671586663
N   -0.9910998291   3.2857571060   0.0586420678
C   -2.4484426836  -0.6532200365  -0.5492873608
C   -1.3677828816  -2.2249294038   1.0220244116
C   -3.9080257949  -0.9763642014  -0.2615723780
C    0.0364717861  -2.5540535293   1.4856768036
C   -1.4677160020   0.0955836543   1.5906549375
C   -4.7593070798  -0.7831627248  -1.5063345497
C    1.3581371316  -1.2905481390  -0.0882954041
C   -1.9307009387   2.4971670979   1.9394572576
C   -0.9173831244   1.9909730150   0.0516998566
C    1.1165392793  -1.0895897530  -1.4483543123
C    2.0278158037  -0.2743619172   0.5941404635
C   -1.6321987072   3.6128305827   1.2301690618
C    1.4998652192   0.0660704143  -2.1055349920
C    2.4082964043   0.9012652657  -0.0333007361
C    2.1363131273   1.0590927116  -1.3798858509
H   -2.3762126379   0.3620071912  -0.9296472600
H   -2.0681627709  -1.2966526258  -1.3422211910
H   -1.6162004341  -2.8501591342   0.1660878783
H   -2.0468961659  -2.5160243904   1.8277972700
H   -4.2687572813  -0.3296797142   0.5427925436
H   -4.0048156722  -2.0048433484   0.0946193259
H    0.3218582310  -1.9689042495   2.3568774325
H    0.0401890556  -3.5997921247   1.7884980639
H   -4.7098153320   0.2459271996  -1.8663512696
H   -4.4310935787  -1.4338779849  -2.3186341847
H   -5.8056120394  -1.0117496443  -1.3052940937
H   -2.4270347041   2.3548530900   2.8839877284
H   -0.4559920951   1.3943109860  -0.7180927742
H   -1.8458046813   4.6364301362   1.4919512993
H    1.2956808264   0.1889192732  -3.1595692811
H    2.9192896027   1.6733445794   0.5243130283
*
