! 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    3.4547490519   1.3198118578  -0.8101190973
O    0.3497755409   1.5990157875  -0.7606376729
O    2.5184782138   0.7213594786   1.1257097899
N    0.5603154821  -0.6155960786  -0.4837888098
C    1.9622520942  -0.4969780284  -0.8865873444
C   -0.0555190566  -1.9003254676  -0.3916556785
C   -0.4729138841  -2.5232706091  -1.5746470043
C   -0.2182809252  -2.5094047847   0.8541760667
C   -0.1662340887   0.5275878824  -0.4702853863
C   -1.6312159027   0.4344144610  -0.0959788685
C    2.7421162488  -1.7881974943  -0.6672797191
C    2.6362550621   0.5936281370  -0.0680617376
C   -1.0613531154  -3.7794461821  -1.4898539279
C   -0.8114232185  -3.7699832620   0.8974593027
C   -2.1263361571   1.7274111862   0.4844454870
C   -0.2784966608  -1.8709699411  -2.9106791140
C    0.1749607874  -1.8362272962   2.1341900577
C   -1.2284507467  -4.4006933422  -0.2612489174
C   -3.0444414719   2.5212967016  -0.1908029722
C   -1.6593204486   2.1502896053   1.7279348786
C   -3.4882786615   3.7176569702   0.3615307806
C   -2.0949903972   3.3443832478   2.2797092980
C   -3.0122132647   4.1342423638   1.5954897813
C    4.2128362287   2.3359205445  -0.1505632898
H    2.0251773212  -0.2263833325  -1.9443178899
H   -1.8121743675  -0.3850992015   0.6002600573
H   -2.1914970636   0.1818943390  -1.0019478078
H    2.3608032652  -2.5967466695  -1.2887117446
H    3.7835115242  -1.6306055327  -0.9481980728
H    2.7161673113  -2.1090138077   0.3735400573
H   -1.3916402601  -4.2747185100  -2.3943969672
H   -0.9463843409  -4.2583453170   1.8547713195
H   -0.6030939943  -0.8301992264  -2.9232556989
H    0.7701278836  -1.8844009918  -3.2155903176
H   -0.8406043264  -2.3973534967  -3.6802606247
H    0.5791865407  -2.5597525667   2.8418005349
H    0.9123952576  -1.0506258277   1.9926201578
H   -0.6970888392  -1.3827272518   2.6127800422
H   -1.6866015948  -5.3796802184  -0.2090523040
H   -3.4201103543   2.2050866383  -1.1564450554
H   -0.9472167739   1.5389487002   2.2715610156
H   -4.2047996098   4.3245253333  -0.1763929829
H   -1.7192367589   3.6604621476   3.2440323212
H   -3.3529470748   5.0674060618   2.0244989100
H    3.5615884170   3.0779745926   0.3101861840
H    4.8081423773   2.8132361098  -0.9233316320
H    4.8750815108   1.9147865767   0.6052028823
*