! 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  -3.8353671812   2.9298783692   0.6270930111
N   -0.2447085281  -2.1278612088  -0.4524947965
N    0.1642112702  -2.3276336820  -1.7105000438
N   -2.0756486549  -2.2044673766  -1.6219829563
N    2.4530131824  -0.1963304106   2.9440437053
C    1.1777641514  -0.4248427222   0.6709587934
C    2.1709340597  -0.1026068949  -0.4674413157
C    0.6736332772  -1.8982044994   0.6288613404
C    3.5102576866  -0.8251865560  -0.3787258298
C   -0.0378465663   0.4951771182   0.6743347917
C    4.3331082086  -0.6874973218  -1.6563954637
C    1.8918305944  -0.2836082947   1.9425471725
C   -0.7595137158   0.7112984365   1.8443447691
C   -0.5171353422   1.0415886094  -0.5114155428
C    4.6662134798   0.7494918091  -2.0279813171
C   -1.9241110479   1.4619552289   1.8405752056
C   -1.6843047203   1.7892891299  -0.5330149359
C   -1.5762373752  -2.0415960144  -0.4227086391
C   -2.3790259808   1.9947172589   0.6458122312
C   -0.9655920071  -2.3674597900  -2.3664297915
H    2.3299609296   0.9779116252  -0.4698932198
H    1.6947806785  -0.3544669011  -1.4158405053
H    0.1536334448  -2.1355444116   1.5558880049
H    1.5063603218  -2.5918133940   0.5366557536
H    3.3601113365  -1.8899280293  -0.1820610574
H    4.0897068474  -0.4354695687   0.4627655070
H    3.7986626414  -1.1651275843  -2.4824918208
H    5.2603230045  -1.2505201225  -1.5289457182
H   -0.4272117299   0.2950118791   2.7872709663
H    0.0038737628   0.8930983394  -1.4465016414
H    3.7762737184   1.3234127534  -2.2885452399
H    5.3341676550   0.7853565908  -2.8890173153
H    5.1633581565   1.2673483996  -1.2053091980
H   -2.4657616448   1.6223922765   2.7619517220
H   -2.0411779200   2.2022468652  -1.4660275602
H   -2.1337482511  -1.8850760345   0.4873472168
H   -0.9905641736  -2.5319690881  -3.4320109847
*