! 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    0.8016619695   0.5013388409  -1.2313069755
N    1.0876311334  -2.3593578141  -0.7399985433
N    1.0023469015  -3.1041259311   0.3653988781
N   -0.7061289305  -3.5581539032  -1.0169852158
C    3.1020136314   0.8747779123  -0.3522897503
C    1.8022917087   0.0027721660  -0.3856124782
C    3.8537260790   0.2957049260   0.8610858232
C    1.4699754045  -0.0432635264   1.0906832858
C    2.7720692094  -0.2547935680   1.8158738840
C    2.1414724904  -1.3922892772  -0.9284379341
C    2.7295043043   2.3354493142  -0.0865410523
C    3.9213152473   0.8103527055  -1.6340554857
C    0.3391735979   0.2840133617   1.7166472517
C    0.0624358911  -2.6327831258  -1.5458714746
C   -0.0846113642  -3.8017086744   0.1523485042
H    4.4698876431   1.0584570673   1.3381440954
H    4.5348862041  -0.4980322317   0.5476872559
H    2.7685205795   0.2449615667   2.7853926961
H    2.9302127115  -1.3188793429   2.0127551888
H    3.0374904175  -1.7989668139  -0.4623397885
H    2.3356692377  -1.3264484807  -1.9989546383
H    2.1356437012   2.4626603529   0.8203502158
H    3.6373036865   2.9273683677   0.0384565072
H    2.1752867828   2.7755701393  -0.9176796834
H    4.7906016877   1.4659206799  -1.5514964769
H    4.2996094498  -0.1903224639  -1.8473898409
H    3.3430022253   1.1446480406  -2.4974756554
H    0.4146990509   1.2918833781  -0.8400073932
H   -0.0781115643  -2.1567326152  -2.5026687796
H   -0.4363863661  -4.5280920287   0.8679521812
C   -0.9701109764   0.6633926537   1.1509861417
C   -3.4372635084   1.4892479121   0.1533389369
C   -1.7275723496  -0.1729039803   0.3335151659
C   -1.4969579011   1.9146590934   1.4780051203
C   -2.7188311108   2.3376316188   0.9806828648
C   -2.9551511619   0.2309526883  -0.1687141366
H   -1.3699467179  -1.1638856309   0.0970217951
H   -0.9379307246   2.5790784089   2.1249515892
H   -3.1001462364   3.3164323253   1.2365183544
H   -3.5269460847  -0.4329237149  -0.8026829899
Cl  -4.9673735562   2.0052576523  -0.4760299624
H    0.3964670547   0.3666761906   2.7996506049
*