! 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  -5.9742197533   1.6889237015  -1.9516295544
O    2.9276340567   1.6691095149   0.0650979027
O    1.7953721172  -1.5892605534   2.3329505047
N    2.3448168298  -0.4758088267   0.4335137606
N    1.5890976032  -2.6967035253   0.3630776597
N    1.6216200294  -4.8114391196  -0.2463893105
C    2.5743135774   0.8203604421   1.1316208274
C    2.8268802952  -0.4110829960  -0.9714744072
C    3.6266325689   0.8911311576  -0.8769093398
C    1.3116423927   1.3802339270   1.7821393791
C    3.7237833574   0.7372062762   2.1324776963
C    3.7497789100  -1.5545029472  -1.3686356505
C    1.6995260703  -0.2429381152  -1.9853535880
C    0.0776888198   1.4013077886   0.8924192406
C    1.9241550217  -1.5356059007   1.1255915207
C   -1.1365039986   1.9809901516   1.6193305059
C   -2.3644007726   1.9285727321   0.7570309148
C    0.4800621738  -2.8878224737  -0.4254396715
C    2.2268305428  -3.8920596333   0.4499721506
C   -3.1337560462   0.7690513024   0.6902050096
C   -2.7337201357   3.0092235140  -0.0386154892
C    0.5252065996  -4.1966249420  -0.7916576523
C   -4.2423363872   0.6843840020  -0.1382621823
C   -3.8396599378   2.9455679252  -0.8743327246
C   -4.5860323181   1.7792496785  -0.9156051669
H    4.6585062849   0.6992767721  -0.5596465275
H    3.6583295959   1.4241395606  -1.8260701646
H    1.5506369797   2.3975159821   2.1060524891
H    1.1005705733   0.8197455773   2.6934548353
H    3.9298708393   1.7349110865   2.5208378441
H    4.6374863625   0.3588877657   1.6726180848
H    3.4835348567   0.0957281015   2.9755580980
H    4.4604185689  -1.7962337685  -0.5776685916
H    4.3240922108  -1.2470511343  -2.2439640768
H    3.2120479449  -2.4586506959  -1.6482011006
H    1.0579031413   0.6038870177  -1.7449502055
H    2.1326306972  -0.0647318716  -2.9699719990
H    1.0789534903  -1.1319499745  -2.0678445470
H    0.2662842538   1.9885958971  -0.0091543677
H   -0.1697731624   0.3895507403   0.5593083522
H   -0.9293960688   3.0126732755   1.9130733106
H   -1.3087514205   1.4186087667   2.5406652842
H   -0.2471567343  -2.1156066122  -0.6100468767
H    3.1350243413  -4.0183984863   1.0183353330
H   -2.8684968415  -0.0877340310   1.2981020971
H   -2.1531381775   3.9232103186  -0.0077952839
H   -0.1792601809  -4.7282672169  -1.4107516555
H   -4.8294347604  -0.2233098077  -0.1726983481
H   -4.1135863586   3.7973587056  -1.4818918131
*