! 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  -3.1586876389   3.4140692757   0.0671547418
N   -0.5589624171  -2.4126240340  -0.4775839147
N   -1.7709638215  -1.9659471311  -0.8227914216
N   -1.9112094893  -3.3017419076   0.9738503044
N    2.0745650835  -1.5857480966   1.9006994113
C    1.2368535652  -0.6831688212  -0.4062500220
C    2.4536196958  -0.2129301541  -1.2419144389
C    0.6331836988  -1.9239705761  -1.1189679887
C    3.0465144114   1.1464998753  -0.8848234209
C    0.1659343755   0.3823887777  -0.2440078666
C    3.6589293089   1.2957762810   0.5042406388
C    1.7031950297  -1.1515690590   0.9004945470
C   -0.4300315189   0.6569973883   0.9791745151
C   -0.2886783833   1.0586122844  -1.3733011475
C    4.8462103960   0.3795385320   0.7608028784
C   -1.4539604691   1.5880864831   1.0841631074
C   -1.3060591393   1.9919908970  -1.2861294125
C   -0.6611351392  -3.1987508903   0.5979295837
C   -1.8833677600   2.2488809370  -0.0516175747
C   -2.5409955319  -2.5254129814   0.0707419722
H    2.1341147979  -0.1803207535  -2.2856789355
H    3.2158796756  -0.9939206300  -1.1973894207
H    1.3696966297  -2.7250710219  -1.1610120422
H    0.3769615775  -1.6558339662  -2.1415931092
H    2.2884861284   1.9203425023  -1.0248871358
H    3.8196936213   1.3535945444  -1.6298254487
H    2.9000764198   1.1531923458   1.2783331316
H    3.9852340730   2.3331495608   0.6101724297
H   -0.1132602715   0.1498537563   1.8807682244
H    0.1446738435   0.8641091442  -2.3461302941
H    5.2859160113   0.5743828746   1.7397017631
H    5.6274663857   0.5341414651   0.0141056133
H    4.5748972229  -0.6763277308   0.7360527884
H   -1.9053212365   1.7869389983   2.0462926884
H   -1.6440607068   2.5089355389  -2.1734767130
H    0.1841779946  -3.6899413991   1.0519551341
H   -3.6090049033  -2.3769993710   0.0668343148
*