! 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    1.1567464308   0.7011739224  -1.3413013460
N    0.7909198029  -2.0547291928  -0.4402768309
N    0.4469378518  -2.6323891761   0.7127591531
N   -1.2192553409  -2.8148509954  -0.7785540669
C    3.4199811330   0.7471313718  -0.4833498795
C    1.9988962510   0.1241594365  -0.3777273360
C    4.0718247851   0.2722260181   0.8235925641
C    1.6563087928   0.3743832196   1.0779734580
C    2.9423331121   0.2539545439   1.8653725683
C    2.0647692988  -1.4014500107  -0.6259521261
C    3.3079336864   2.2741178365  -0.4722648418
C    4.2082809474   0.3204040312  -1.7148512326
C    0.4891907444   0.6488215756   1.6560642227
C   -0.2135022879  -2.1659850394  -1.3133939918
C   -0.7611771066  -3.0670590360   0.4611148545
H    4.8962333867   0.9240628377   1.1148088300
H    4.4995492968  -0.7247840079   0.6972259505
H    3.0282955817   1.0751387074   2.5777611962
H    2.9553964152  -0.6669281405   2.4524479528
H    2.7784141433  -1.8976658383   0.0282838919
H    2.3781165267  -1.5861133042  -1.6528000509
H    2.8556488553   2.6583388584  -1.3862451793
H    2.7195783662   2.6476699577   0.3683061687
H    4.3041059807   2.7128534538  -0.3915775426
H    3.6939944282   0.5882056879  -2.6397657895
H    5.1765454222   0.8242539326  -1.7263773998
H    4.4119511337  -0.7507437012  -1.7390124907
H    0.2348917092   0.5154763171  -1.1338479534
H   -0.1590705127  -1.7956659876  -2.3251591594
H   -1.3326511883  -3.6032793259   1.2024070948
C   -0.8530981297   0.7868785259   1.0548464877
C   -3.4405403628   1.0258796880   0.0487022031
C   -1.1853994658   1.8133879242   0.1689777909
C   -1.8638037095  -0.0896853032   1.4535806208
C   -3.1499284225   0.0170193153   0.9537793054
C   -2.4701093249   1.9321666218  -0.3432037931
H   -0.4416515091   2.5465317727  -0.1140222791
H   -1.6414661881  -0.8730167718   2.1660550086
H   -3.9141734766  -0.6803726183   1.2682884428
H   -2.7066653227   2.7311811889  -1.0324911011
Cl  -5.0464409135   1.1640141839  -0.5874885689
H    0.4988893562   0.7415122056   2.7401512210
*