! 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   -0.2036273509  -1.1751998675  -0.6346937091
O   -0.3430428382   0.1263898284   1.9888151463
O   -0.5193600871  -1.3582191033  -2.8417530626
O    1.5529591461   0.9053659802  -1.6323174099
N   -0.4252819929   1.4841846051  -0.7066287289
N    1.5945464228   2.3804165360   0.0925223431
N    2.2765653273   4.2000932395   1.1271481318
C   -1.1220836723   0.6899966104  -1.7136317648
C   -1.2198123645   1.4009018487  -3.0587177287
C   -1.1849437164   1.8372630205   0.4957905669
C   -0.5572166280  -0.7222067108  -1.8163080160
C    0.9121220565   1.5311004255  -0.8110250259
C   -1.9168685838   2.7468074413  -2.9419574385
C   -1.4184451177   0.6587603411   1.3643696899
C    0.3003958217  -2.5072781376  -0.4918148502
C   -0.8193482328  -3.5128196237  -0.3171504296
C   -2.5229516160  -0.0747452484   1.6370952626
C   -0.2766357364  -4.8745050534   0.1204871077
C    2.7570560544   2.0411473750   0.7453423572
C    1.3616100312   3.6982031899   0.3529589363
C   -2.0951147215  -1.1427935520   2.4831836254
C   -0.7644047577  -0.9724619090   2.6537516984
C    3.1469954093   3.1707572612   1.3878556625
C    0.3280340277  -4.8318357308   1.4883835250
C    1.5804532386  -5.1599270150   1.7830841009
H   -2.1435828186   0.5533976471  -1.3405242165
H   -0.2297942463   1.5254888218  -3.4996291262
H   -1.7853029074   0.7601614445  -3.7359661513
H   -2.1443544249   2.2485503272   0.1854236101
H   -0.6841723187   2.6294011627   1.0466099435
H   -2.0162822215   3.2096749998  -3.9233403635
H   -2.9209356182   2.6434535995  -2.5258961770
H   -1.3628469328   3.4438703504  -2.3118355329
H    0.9264664747  -2.4654107737   0.3988618029
H    0.9413581687  -2.7689285734  -1.3363635589
H   -1.3746599201  -3.6248289331  -1.2503241016
H   -1.5214617489  -3.1437720024   0.4353350436
H   -3.5193934653   0.1153847317   1.2710642457
H    0.4535651558  -5.2449462862  -0.6043893063
H   -1.1072324536  -5.5857000995   0.1184151273
H    3.1731138215   1.0488173390   0.7101098559
H    0.5363493005   4.2412023813  -0.0810445371
H   -2.6999434830  -1.9303239020   2.9020309161
H   -0.0186557558  -1.5184095114   3.2085877184
H    4.0061054262   3.3004216805   2.0256766684
H   -0.3296756276  -4.4902532325   2.2845913339
H    1.9564137616  -5.1068985470   2.7968803877
H    2.2767038430  -5.4977271965   1.0235892331
*