! 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  -6.1175475940   0.8426989646   0.9531308738
O    2.8348521385   1.5618290442   0.1927424227
O    0.1984831418  -1.5452060926   0.9286651616
N    2.0963158266  -0.5705523436   0.1436441169
N    1.6707711282  -2.8456216779  -0.2068803495
N    1.9921215817  -4.4361876460  -1.6943633769
C    1.6880532996   0.8152687144   0.5257181445
C    3.5439536491  -0.6087365499  -0.2001588579
C    3.9503872597   0.7316529603   0.4123140336
C    0.5293524801   1.3023788041  -0.3414648167
C    1.4057497614   0.9443752239   2.0213851696
C    4.3259489068  -1.7339284952   0.4616114940
C    3.7914675217  -0.5773851491  -1.7055309133
C    0.2361269074   2.7921763997  -0.2037174020
C    1.2631999299  -1.5945794309   0.3444384517
C   -0.9639976560   3.2336268474  -1.0472005874
C   -2.2625373729   2.6447653947  -0.5730255750
C    1.8560360541  -4.0057645752   0.5040585751
C    1.7486831465  -3.1682500431  -1.5245889277
C   -2.9149615464   3.1801836095   0.5360642215
C   -2.8310969871   1.5374328511  -1.1962717672
C    2.0749703038  -4.9660395457  -0.4325611281
C   -4.0970028170   2.6349225790   1.0125051247
C   -4.0133766989   0.9752443192  -0.7349630273
C   -4.6369447841   1.5316989299   0.3692909353
H    4.1747733621   0.6262951954   1.4809140172
H    4.8213186619   1.1661673926  -0.0763774096
H   -0.3604002895   0.7263085439  -0.0828815105
H    0.7596183121   1.0779795430  -1.3873623594
H    2.1977433827   0.4991376220   2.6241832195
H    0.4671837461   0.4759248940   2.3026121018
H    1.3430759755   1.9991179966   2.2881247199
H    4.2256269827  -2.6871898217  -0.0536271622
H    4.0439494645  -1.8682856087   1.5065238482
H    5.3859265124  -1.4756323487   0.4388950877
H    3.5310746448  -1.5176933799  -2.1859040550
H    3.2319753531   0.2213694292  -2.1924899973
H    4.8522748661  -0.4085503842  -1.8937022053
H    0.0451742345   3.0541039621   0.8401075133
H    1.1048886487   3.3733850639  -0.5175550482
H   -0.7947344740   2.9674870964  -2.0933568682
H   -1.0270112661   4.3233108834  -1.0093012363
H    1.8477399209  -4.0307400297   1.5807378824
H    1.5629918658  -2.4498236187  -2.3066749861
H   -2.4989505118   4.0449828877   1.0392307702
H   -2.3481584277   1.1015980818  -2.0624254768
H    2.2891888443  -6.0096061359  -0.2677676514
H   -4.5910464857   3.0684916580   1.8714901860
H   -4.4392569668   0.1158141754  -1.2346690228
*