! 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   4.5614385375   4.7358606177   0.9919820269
O   -1.6379839897  -1.5728663326   1.5796838439
N   -1.5488023984  -3.3954989375  -0.5835855364
N   -2.0513268835  -3.7143743699  -1.7802920213
N   -2.8614571186  -5.0891802618  -0.2063118042
C   -1.2772337920  -1.0730541909   0.3015886669
C   -2.5054193563  -0.4141834911  -0.3981356126
C   -0.2493833089   0.0989500989   0.4844218277
C   -2.5185997315   0.9680648365   0.2718885358
C   -1.0575252063   1.3981651984   0.2943134660
C   -0.6513672083  -2.2714884815  -0.4099268342
C    1.0154928155   0.0663753275  -0.3851452932
C   -3.8342933967  -1.1345176828  -0.1902067770
C   -2.2722081351  -0.2456380106  -1.9023560641
C    1.9219582557   1.2218798352  -0.0638641917
C   -2.0417306892  -4.2210501301   0.3396779170
C    2.6323108539   1.2504638557   1.1350185384
C    2.0535364270   2.3025666256  -0.9298867505
C    3.4445686381   2.3226451766   1.4675101512
C    2.8622131328   3.3867270365  -0.6164154730
C   -2.8314500356  -4.7271583333  -1.5019520269
C    3.5501319961   3.3872312024   0.5848759344
H    0.0901610710   0.0306416919   1.5217319438
H   -2.9201001776   0.9001491038   1.2896743298
H   -3.1631024141   1.6720316099  -0.2578658552
H   -0.7971975460   1.8774502570  -0.6526112820
H   -0.8455158468   2.1288233980   1.0747426033
H    0.2097901075  -2.6193988921   0.1629746696
H   -0.2908845882  -2.0047920280  -1.3994668391
H    0.7565762093   0.0970706337  -1.4461195901
H    1.5623590211  -0.8651645803  -0.2213949239
H   -4.6415261546  -0.5315070715  -0.6118939526
H   -3.8728703503  -2.1025518169  -0.6898313357
H   -4.0705123031  -1.2889172057   0.8624634850
H   -1.3151906614   0.2156166201  -2.1491717524
H   -2.3184821376  -1.2001517716  -2.4266462048
H   -3.0497917553   0.3933936978  -2.3254192800
H   -2.1049905809  -0.8878928361   2.0703500214
H   -1.7704122575  -4.1756783921   1.3806325930
H    2.5560152558   0.4201007273   1.8270545448
H    1.5196181776   2.3051766392  -1.8722348512
H    3.9888217181   2.3252740425   2.4021649382
H    2.9508376468   4.2167748675  -1.3041332008
H   -3.3949186389  -5.2330145527  -2.2703271709
*