! 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   5.4354583546   2.9704759409  -1.2741874327
O   -2.3440159642   0.4179515624   1.8982772873
N   -0.9978679045  -2.7360748760   0.6840426624
N    0.3214003656  -2.8448145161   0.4975909797
N   -0.7672582745  -4.3832285219  -0.7192267136
C   -1.7975758098  -0.3688818053   0.8555745977
C   -2.6912502032  -0.4158249441  -0.3979574740
C   -0.5203401948   0.2824485510   0.2914794102
C   -2.4646309738   0.9590958886  -1.0518442790
C   -1.0624218709   1.4145728541  -0.5939782684
C   -4.1516540063  -0.8712501010  -0.2543471172
C   -1.5816987242  -1.7266247984   1.5337406750
C    0.4912299784   0.7355698455   1.3413822523
C   -5.0806660458   0.0781965270   0.4991956944
C   -4.7281468434  -1.1581673698  -1.6400770892
C    1.7326433269   1.2989905115   0.7094538778
C   -1.6267047865  -3.6556136298  -0.0484355977
C    2.6800843442   0.4544271353   0.1336791442
C    1.9575935779   2.6710100712   0.6547922718
C    3.8183962294   0.9569905452  -0.4771410192
C    3.0902516862   3.1950277262   0.0472967130
C    0.4060543055  -3.8406538141  -0.3471834252
C    4.0130434122   2.3293743330  -0.5151370724
H   -2.2141946570  -1.1499997181  -1.0593354039
H   -0.0319243565  -0.4530091474  -0.3545297212
H   -3.2228215858   1.6806391004  -0.7405555743
H   -2.5385688322   0.8929577178  -2.1367932332
H   -0.3983657150   1.6130481823  -1.4341815767
H   -1.1235953288   2.3482829924  -0.0276296922
H   -4.1495040012  -1.8213631894   0.2936776119
H   -2.5356331744  -2.1160327817   1.8912853936
H   -0.9390013294  -1.6143535398   2.4070329724
H    0.7669019877  -0.1104381658   1.9766610694
H    0.0402587902   1.4872192766   1.9922842097
H   -2.6030273322   1.2781733932   1.5496228188
H   -5.1183465171   1.0670040207   0.0382416956
H   -6.0989051247  -0.3141773560   0.4861149087
H   -4.7980507286   0.2040973907   1.5416564014
H   -4.1115623939  -1.8691702065  -2.1936072474
H   -4.8009056134  -0.2479130626  -2.2393963252
H   -5.7319829602  -1.5798971127  -1.5672123798
H   -2.6990851209  -3.7720342340  -0.0495768365
H    2.5310169492  -0.6185326920   0.1638087289
H    1.2398852883   3.3515670817   1.0961970609
H    4.5450554850   0.2854031155  -0.9137966953
H    3.2471604080   4.2646579784   0.0184429409
H    1.3595345869  -4.1956962753  -0.7051791731
*