! 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   -0.2498639542  -1.1673686319  -0.9207130083
O   -0.9202109487  -0.6881792441   1.1769069931
O    5.5984938458   1.6348742384   0.3074105189
O    3.5115058342   1.8395439512  -0.5022659980
N   -2.2597732498  -0.3107109928  -0.6488677412
N    4.3201904392  -0.1539930658   0.2882601914
C   -3.4289595600   0.2241298935  -0.0959157866
C   -5.6353007102   1.1243482855  -0.5740142872
C   -4.4293208127   0.5842443050  -1.0010302617
C    3.2388283877  -1.0171707300   0.1240695762
C    0.9825642041  -1.5737465901  -0.4329816088
C   -3.6406857277   0.4118741103   1.2684961270
C   -5.8372453204   1.3108935553   0.7926196866
C    1.9788149133  -0.6198294912  -0.3203852150
C   -4.8462772409   0.9551321028   1.6921450227
C   -6.7073026012   1.4723677528  -1.5632667297
C    3.4557418025  -2.3604773400   0.4435074052
C    1.1760493812  -2.9042702552  -0.1217857560
C    2.4364611944  -3.2860688776   0.3186649785
C   -1.1423589542  -0.7110176757  -0.0102219303
C    4.3940043002   1.1661976512  -0.0146439030
C    5.8397057394   3.0176073363   0.0494741943
H   -4.2596531409   0.4406512211  -2.0631696635
H   -2.8932947474   0.1502466952   1.9991501892
H   -6.7672953866   1.7356451246   1.1500858232
H    1.7622092939   0.4035776964  -0.5824540027
H   -5.0053811875   1.1027646155   2.7525868050
H   -2.2438277841  -0.4013533490  -1.6545470940
H    4.4314328572  -2.6801863183   0.7888038513
H    0.3741291024  -3.6230360920  -0.2247629439
H   -7.2844078378   2.3382710251  -1.2392170908
H   -6.2952019230   1.6918502080  -2.5475017027
H   -7.4103862408   0.6456163322  -1.6835560622
H    2.6259282202  -4.3205101426   0.5712293528
H    5.1575060978  -0.5719150820   0.6681714697
H    5.1473729727   3.6571218134   0.5965237760
H    5.7820847526   3.2435341642  -1.0149514361
H    6.8500635605   3.2107474159   0.3981061650
*