! 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    0.0041272892  -1.0502354761  -0.3701978738
O   -3.5866424520   0.3775370017   0.2242685437
O   -1.2428342284  -1.3643971406   1.4672992281
O    0.0629195975   1.6725548454  -2.3757025812
N   -0.4547064529   1.6189583628  -0.1566335884
N    1.7652748138   1.4305532033  -0.9079284580
N    3.8401130225   0.7389595291  -1.1777605155
C   -0.2307707747   0.7990454449   1.0387832269
C   -0.9197140914   1.3602096744   2.2781872984
C   -1.8520274241   1.9352584772  -0.4656002831
C   -0.5778933160  -0.6628969943   0.7488776700
C    0.3916498289   1.5643045614  -1.2140947284
C   -0.3094936057   0.8491589837   3.5756806858
C   -2.6967086981   0.7387359978  -0.7355413687
C   -0.1187412819  -2.4002604352  -0.8372545911
C    1.2351887773  -3.0739877913  -0.8542417973
C   -2.7443024141  -0.1545488671  -1.7548797627
C    1.8888291579  -3.2377346090   0.5188083165
C    2.4951209258   1.9773589867   0.1268312411
C    2.6336398428   0.6960161680  -1.6577926707
C   -3.7132195991  -1.1348255726  -1.3906757621
C   -4.1889781616  -0.7588410859  -0.1811368393
C    3.7647597069   1.5398007529  -0.0639289217
C    2.4486639275  -1.9709406398   1.0848960223
C    2.2252453401  -1.5047423600   2.3082465368
H    0.8398673725   0.7837665254   1.2509434874
H   -0.8138384464   2.4465714541   2.2532383790
H   -1.9894147217   1.1494230505   2.2681658101
H   -1.8658558171   2.6115552305  -1.3166058282
H   -2.2646457817   2.4979283001   0.3707674621
H    0.7549256541   1.0827838063   3.6343433571
H   -0.7944715271   1.3256841072   4.4272805990
H   -0.4240925224  -0.2266437422   3.6937862414
H   -0.5267072933  -2.3382464720  -1.8464430238
H   -0.8258968639  -2.9560984220  -0.2221602231
H    1.9106154817  -2.5387616652  -1.5282138045
H    1.0812705519  -4.0601002181  -1.2984731254
H   -2.1477663719  -0.1275311694  -2.6520343583
H    2.7140263385  -3.9479635418   0.4053556240
H    1.1855219124  -3.6925626081   1.2221512377
H    2.0740351513   2.6515127008   0.8529881711
H    2.3195045717   0.1479759341  -2.5314759809
H   -4.0152071090  -2.0006275860  -1.9569296718
H   -4.9324791487  -1.1750589848   0.4791406940
H    4.6330602932   1.7689839016   0.5322850451
H    3.1131626908  -1.4153602237   0.4281362106
H    2.6980363219  -0.5948387911   2.6566754347
H    1.5732966363  -2.0152692275   3.0078132157
*