! 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
O    1.0818471739   0.7574247436  -1.2679119928
N    0.7762990702  -1.9980442410  -0.5619660942
N    0.5681724436  -2.7992737637   0.4863374577
N   -1.2300995117  -2.7830893227  -0.8545050691
C    3.4168292117   0.7914258486  -0.4208416918
C    1.9835702244   0.1755835459  -0.3647804786
C    4.0627762250   0.2222891934   0.8488520751
C    1.6452460404   0.3031467167   1.1076113177
C    2.9311001099   0.1402964091   1.8864105133
C    2.0288380780  -1.3085221476  -0.7591472583
C    3.3140829944   2.3149564607  -0.3041291672
C    4.1943281197   0.4487455640  -1.6837918768
C    0.4745864082   0.5338872285   1.6972951008
C   -0.3053295178  -1.9914308345  -1.3415980922
C   -0.6438914359  -3.2401022530   0.2670876318
H    4.8933093837   0.8427285132   1.1877770980
H    4.4794660958  -0.7679080212   0.6516816416
H    3.0171553146   0.9196326571   2.6446175230
H    2.9471464965  -0.8123840307   2.4198574573
H    2.7817977609  -1.8509167152  -0.1924328609
H    2.2921730127  -1.3946195926  -1.8135606945
H    4.3121306602   2.7450875553  -0.2079670881
H    2.8627693309   2.7682076642  -1.1893653688
H    2.7412767422   2.6390940479   0.5683053473
H    5.1591268652   0.9592800785  -1.6796551371
H    4.4026278395  -0.6178366112  -1.7761198753
H    3.6628019748   0.7686421414  -2.5823580002
H    0.9315281207   1.6757874202  -1.0242344915
H   -0.3692591754  -1.4241396444  -2.2554921895
H   -1.1221419538  -3.9320435066   0.9427516734
C   -0.8641830087   0.7181494278   1.0995511801
C   -3.4438619780   1.0476240377   0.1025438511
C   -1.8496277415  -0.2398019839   1.3285212178
C   -1.2177502953   1.8660907992   0.3932523136
C   -2.4968929165   2.0355561797  -0.1138137327
C   -3.1331789315  -0.0895487477   0.8291365011
H   -1.6121347948  -1.1254019688   1.9033342946
H   -0.4974500970   2.6630856904   0.2536852649
H   -2.7493036681   2.9320312907  -0.6634908456
H   -3.8779607546  -0.8532090194   1.0069079034
Cl  -5.0457767973   1.2459610877  -0.5322243189
H    0.4812167844   0.5600719660   2.7855133859
*