! 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    0.8225144580   0.3825995856  -0.7319577455
O   -5.6262448601  -0.6191221160  -0.0743677942
O    2.1048868473   0.9908067109   1.0316248940
O   -3.5802742067  -1.4675617396  -0.4902684714
N   -3.8932886590   0.7166546830   0.1218422138
N    2.8735425960  -0.3907685941  -0.6260421236
C   -2.6115409013   1.2566182611   0.0278940447
C   -0.2480515578   1.1687670249  -0.3504404706
C   -1.4650720059   0.5136928533  -0.2480943487
C   -2.4976897136   2.6340392263   0.2287376816
C   -0.1199143759   2.5350379734  -0.1742078260
C   -1.2670861059   3.2555224189   0.1272300235
C    4.1891495276  -0.6475130494  -0.2177454524
C    4.7809358913  -1.8176835000  -0.6926855250
C    4.9334371130   0.2215482194   0.5776298310
C    1.9634042361   0.3869793415  -0.0040465281
C   -4.3001988835  -0.5442904743  -0.1748000991
C    6.0955490230  -2.1175500575  -0.3771683630
C    6.2484090338  -0.0952663413   0.8920459683
C    6.8389280083  -1.2589148703   0.4216578810
C   -6.2503676744  -1.8927405598  -0.3031524843
C   -6.1974797305  -2.7807033084   0.9171090817
H   -1.4997949092  -0.5533256939  -0.3989999088
H   -3.3796317625   3.2218512924   0.4513490515
H    0.8306579892   3.0371165816  -0.2834737009
H   -1.2006509244   4.3249241441   0.2741009866
H   -4.6240131960   1.3758813282   0.3500268434
H    2.5499424226  -0.9123404571  -1.4288647071
H    4.2078345464  -2.4961610944  -1.3133814367
H    4.5144130315   1.1466638939   0.9413665240
H    6.5363230100  -3.0298877805  -0.7564289880
H    6.8177908155   0.5901458740   1.5064513996
H    7.8659288292  -1.4914067129   0.6695359107
H   -5.8070108280  -2.3803496292  -1.1724810937
H   -7.2812631744  -1.6461547848  -0.5521128914
H   -6.7568079514  -3.6941157708   0.7130726698
H   -6.6551126947  -2.2969759131   1.7802758833
H   -5.1787460672  -3.0668403669   1.1767519158
*