! 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    1.2776568606   0.7061551046  -1.4867682622
N    0.7693571547  -2.1039280746  -0.7182062151
N    0.5569778898  -1.9729980170  -2.0322459041
N    1.0713193613  -4.0944484652  -1.5393860868
C    3.1491102497  -0.1858513230  -0.1676387905
C    1.6242682018   0.1820487087  -0.2178130132
C    3.7861369342   1.1928264295   0.0536531552
C    1.5136151738   1.3451161605   0.7697182013
C    2.9001581244   1.8443874362   1.1053770456
C    0.6826024645  -0.9668574984   0.1748169258
C    3.6936450440  -0.8402403597  -1.4323099087
C    3.4772710910  -1.0794803784   1.0332054067
C    0.4221269383   1.9262429496   1.2744102047
C    1.0769219990  -3.3691443679  -0.4436586762
C    0.7548922067  -3.1886304388  -2.4796139709
H    3.7607329420   1.7710628636  -0.8737307657
H    4.8310930144   1.1162629299   0.3582988837
H    2.9516374131   2.9335098750   1.1001709110
H    3.1935288707   1.5232076817   2.1088480342
H   -0.3508242017  -0.6275233001   0.1766869779
H    0.9001997213  -1.3245340080   1.1782426304
H    4.7764875695  -0.9489919733  -1.3428020588
H    3.2946204343  -1.8409249722  -1.6061897187
H    3.5076634695  -0.2403979059  -2.3232043081
H    3.1516666285  -2.1099436536   0.8862709678
H    4.5585568425  -1.1138776312   1.1792308422
H    3.0393290011  -0.7288544924   1.9692976445
H    1.1337589434  -0.0360119698  -2.0948079572
H    1.2781604432  -3.7228933060   0.5550160227
H    0.6596977873  -3.4280348698  -3.5268499018
C   -1.0111090743   1.6714968325   1.0558460701
C   -3.7574084835   1.2889394290   0.7643147756
C   -1.8608592599   1.6688333373   2.1645050326
C   -1.5814940976   1.5037099374  -0.2072179233
C   -2.9460047554   1.3115365513  -0.3582352885
C   -3.2243972864   1.4680510617   2.0313186398
H   -1.4484250191   1.8184382216   3.1544894973
H   -0.9558089851   1.5256400188  -1.0875829904
H   -3.3682061212   1.1873826714  -1.3461775089
H   -3.8606472198   1.4567420054   2.9055877474
Cl  -5.4632096144   1.0477578794   0.5818268520
H    0.6081635690   2.7258814357   1.9883533936
*