! 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   -3.4317957997  -1.6262650973  -0.0970495163
O    0.4825793066   2.6937355482  -0.2532664791
O   -1.9182474539   0.7767346032  -1.5785917192
O   -2.6488209893  -0.0297062028   1.2521138748
N   -0.2702671386  -0.1082535590  -0.3343947765
C   -1.1111801510  -1.2868963082  -0.1315188375
C    1.1230179295  -0.1506254877  -0.0154677171
C    1.5806401525   0.3114623823   1.2182386358
C    1.9987477574  -0.6901565332  -0.9674901258
C   -0.5020808201  -2.2834875635   0.8469404687
C   -0.7846771209   0.8641871135  -1.1225850125
C   -2.4701064454  -0.8719287880   0.4076352698
C    2.9496247190   0.2511854465   1.4748247238
C    3.3567670406  -0.7274649967  -0.6769433266
C    0.6744283579   0.8699171303   2.2714062208
C    1.4931688435  -1.2359759290  -2.2702961265
C    3.8312564082  -0.2563120803   0.5383086026
C    0.1002403154   2.0559342468  -1.4421492515
C   -4.7563616683  -1.4263855753   0.4021962109
C    1.7472143209   3.3101306847  -0.3343448851
H   -1.2639694473  -1.7954876911  -1.0878458863
H   -0.3209885682  -1.8423312283   1.8262133257
H   -1.1848224007  -3.1230829227   0.9749962368
H    0.4351377767  -2.6872261964   0.4678644634
H    3.3232590459   0.6114173664   2.4259403669
H    4.0461931509  -1.1358213962  -1.4052729435
H   -0.3719380805   0.8492230005   1.9860353560
H    0.7800047447   0.3064272545   3.1990018804
H    0.9394327526   1.9024229579   2.4988295775
H    0.8523377981  -2.1076065182  -2.1233469552
H    0.9140947521  -0.5084720003  -2.8410359334
H    2.3217716048  -1.5517027715  -2.9015166079
H    4.8910263881  -0.2907908668   0.7549429531
H    0.9699340779   1.7086518646  -2.0156276497
H   -0.4629264366   2.7292283605  -2.0967826430
H   -5.1065373647  -0.4141059946   0.2038725363
H   -4.8136756123  -1.6289615921   1.4711544232
H   -5.3850853172  -2.1333521807  -0.1305664720
H    1.7708793858   4.1026010243  -1.0899579390
H    2.5368187624   2.5873352808  -0.5675213826
H    1.9628436186   3.7554695619   0.6358443640
*