! 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  -2.6777419215   3.5841330584   0.2941539190
N   -0.8096742721  -2.4476383940  -0.6796371447
N   -0.9020138843  -3.4041776149   0.2498037133
N   -2.9015229181  -2.4436155712  -0.0906615096
N    1.8849840764  -2.0852713537   1.8953196880
C    1.1933299595  -0.9928035343  -0.3766640808
C    2.5125385897  -0.6416753113  -1.1071293349
C    0.4573917038  -2.0545144974  -1.2342921288
C    3.5338650642   0.1844340731  -0.3330008284
C    0.2593204690   0.1896625391  -0.1611764032
C    3.1320046607   1.6109777354   0.0229939263
C    1.5545803319  -1.6060190697   0.9022189640
C   -0.3773705670   0.4201636276   1.0516965405
C   -0.0436264218   1.0195829448  -1.2376706653
C    4.2900547544   2.3852992573   0.6339778722
C   -1.2802625088   1.4626505829   1.2010311844
C   -0.9432919000   2.0632152683  -1.1062719181
C   -2.0035828987  -1.8775067543  -0.8572968956
C   -1.5547596487   2.2789246417   0.1188447302
C   -2.1693897602  -3.3639185419   0.5651239408
H    2.2587730616  -0.1400413064  -2.0428439144
H    2.9820176012  -1.5862593823  -1.3918742693
H    1.0740833925  -2.9433054949  -1.3520589631
H    0.2853103373  -1.6395642487  -2.2263593635
H    4.4322046508   0.2221489312  -0.9557434965
H    3.8318799976  -0.3489970354   0.5748941144
H    2.2955106303   1.6106570902   0.7248763533
H    2.7757980478   2.1265455517  -0.8734426371
H   -0.1811977569  -0.2060017287   1.9122517157
H    0.4175207762   0.8676066232  -2.2047825892
H    3.9981980194   3.4061139198   0.8833143834
H    5.1376392222   2.4432487679  -0.0514915617
H    4.6421495134   1.9115797040   1.5522460316
H   -1.7607370827   1.6261485426   2.1555448034
H   -1.1608194108   2.6984247669  -1.9536498922
H   -2.1750238721  -1.0800662464  -1.5629918655
H   -2.5881238329  -4.0361780105   1.2971683779
*