! 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    3.1808253681   1.9367240053   1.4716756423
O    1.1042957601   0.4135385352   1.0561128449
N    2.1084384776  -0.9667233329  -0.5120565341
N    2.3923761779  -2.0410567842   0.2305210390
N    1.9898484104  -2.6352320284  -1.8964907322
C    4.6101250836   1.0144482807  -0.1950665991
C    3.4102949657   0.7536129864   0.7434660059
C    2.0850714272   0.3606264784   0.0529072153
C    4.3418395040   2.1765129949  -1.1540042822
C    5.8143161309   1.3624127390   0.6886694970
C    4.9863480644  -0.2279215346  -1.0079816008
C   -0.2184806937   0.3388946854   0.7447290634
C    1.8674992459  -1.3391672125  -1.7722121074
C   -0.7429012388   0.4590430219  -0.5360209553
C   -1.0771565461   0.1443425704   1.8230208402
C    2.3107319551  -3.0099854308  -0.6413336290
C   -2.9911462679   0.1797126859   0.3394524349
C   -2.1157479084   0.3748636387  -0.7247649813
C   -2.4417749651   0.0733056034   1.6193763360
C   -4.4481910210   0.0850995458   0.1259977019
C   -5.3414512870   0.6716252040   1.0246437022
C   -4.9668017912  -0.5974108459  -0.9760266752
C   -6.7112219402   0.5771094354   0.8281571003
C   -6.3366646684  -0.6920776320  -1.1723859957
C   -7.2150200459  -0.1058699397  -0.2708309710
H    3.6849035351  -0.0705333282   1.4169429704
H    1.8637559979   1.0528255551  -0.7646806438
H    3.5118104793   1.9767774594  -1.8349182775
H    4.1267398251   3.1072722740  -0.6293878271
H    5.2213026777   2.3515911954  -1.7762641034
H    5.6668119846   2.2792500011   1.2574876112
H    6.7020425698   1.5005514164   0.0690975560
H    6.0334796012   0.5593105224   1.3964053761
H    5.0778264802  -1.1188111918  -0.3839588392
H    5.9558428357  -0.0667405866  -1.4823991612
H    4.2857230556  -0.4431435398  -1.8136366844
H    2.5696151902   1.7439624941   2.1894464765
H    1.6265022622  -0.6415570944  -2.5593285096
H   -0.1226873821   0.6408091169  -1.4018812917
H   -0.6701942229   0.0432002574   2.8209923103
H    2.4856911599  -4.0364833075  -0.3607384026
H   -2.5010484728   0.4866281227  -1.7302442644
H   -3.0860386093  -0.0933042554   2.4733518983
H   -4.9647085964   1.2239100367   1.8766410131
H   -4.2961991120  -1.0791165362  -1.6767466285
H   -7.3862603765   1.0452569165   1.5325795044
H   -6.7183136898  -1.2334254905  -2.0281827228
H   -8.2835695466  -0.1810084766  -0.4232622796
*