! 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   -0.5833654171  -2.6225446124   0.7334587320
O    2.5060801428   2.7149133329   0.2902455630
O    0.4842206401   3.4763703546  -0.2917651900
N   -0.8250333845  -0.3945149681   0.3556248351
N    1.2245117090  -1.2917288122   1.0261495854
N   -1.4576268940   1.6189908852  -0.2360576924
N    0.8521304649   1.2670602995   0.3048658775
C    2.7006019594  -2.9953847754  -0.0295172583
C    2.1616900420  -2.3757050644   1.2527086285
C   -2.2047341046  -0.4550507937   0.0944570148
C    3.4979711645  -2.0256625537  -0.8912590370
C   -2.5866760497   0.8311039792  -0.2779910984
C   -0.3907125568   0.9010675250   0.1432821916
C   -0.0446459424  -1.5298688436   0.7146693174
C   -3.1462063729  -1.4718735086   0.1536069663
C   -3.8869324676   1.1590769611  -0.6086335351
C    4.0373495236  -2.6792960052  -2.1539988283
C   -4.4573748805  -1.1485638643  -0.1765821139
C   -4.8261676629   0.1400222364  -0.5533007551
C    1.2030528793   2.5558108527   0.0668539574
C    3.0443004454   4.0194672713   0.0961141914
H    1.8743466883  -3.4181235642  -0.6087936897
H    3.3379230113  -3.8379807728   0.2545149600
H    2.9823369421  -1.9632291402   1.8397918026
H    1.6876218594  -3.1363389084   1.8720568161
H    2.8746104407  -1.1712760454  -1.1688543864
H    4.3277791381  -1.6199680511  -0.3045147181
H    1.5735300752  -0.3474354275   0.8781186277
H   -2.8945541099  -2.4776982068   0.4425264797
H   -4.1547477315   2.1662693866  -0.8965020705
H    4.6026390926  -1.9705857149  -2.7602726519
H    4.7013465028  -3.5129205754  -1.9179184183
H    3.2281756240  -3.0694657495  -2.7741953550
H   -5.2078648098  -1.9261552435  -0.1378696169
H   -5.8562663228   0.3513982470  -0.8051582220
H    2.5906168961   4.7482385078   0.7679389955
H    4.1037207573   3.9406903365   0.3238589330
H    2.9272458915   4.3562255893  -0.9340080697
H   -1.3921357189   2.6036666262  -0.4539385097
*