! 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   -0.2777260153  -1.7744491509   0.6543125383
O   -0.8898027210  -0.3370278607  -0.9739808192
O    5.1498622637   1.9857400237   0.2054440003
O    3.0001074671   1.8035171998   0.8375615456
N   -2.2935373057  -0.8922913684   0.7505345910
N    4.1261825993   0.0748849823  -0.1613532804
C   -3.4448691319  -0.1426163307   0.4756151853
C   -4.6630172207   1.6357521461  -0.6233027919
C   -3.4837421222   0.9219637884  -0.4223167354
C    3.1605994605  -0.9271063600  -0.2396022226
C    0.9948197985  -1.8742239739   0.1147094647
C   -4.5966096688  -0.4870428866   1.1823110021
C   -5.8081877169   1.2782636130   0.0818932369
C    1.8677021000  -0.8084194358   0.2638670479
C   -5.7668750732   0.2239730468   0.9825357093
C   -4.6772386137   2.8030270209  -1.5655933742
C    3.5433198636  -2.1175897703  -0.8654714529
C    1.3530255329  -3.0554537691  -0.5026293949
C    2.6503903523  -3.1646993405  -0.9871106006
C   -1.1462329212  -0.9327847861   0.0444782201
C    3.9981673760   1.3294858592   0.3389035232
C    5.1876913171   3.3241423585   0.6982426082
H   -2.6014891894   1.2160587730  -0.9692145883
H   -4.5763572610  -1.3122336847   1.8839495590
H   -6.7307354494   1.8247183410  -0.0707886611
H    1.5367577266   0.0841684338   0.7703547175
H   -6.6562107093  -0.0535031134   1.5328046030
H   -2.3520292239  -1.5082957313   1.5492930082
H    4.5485766000  -2.2207337123  -1.2554155364
H    0.6465849023  -3.8686058253  -0.5990644726
H   -5.6477864544   2.9171555725  -2.0474320809
H   -4.4702255335   3.7343815088  -1.0344224116
H   -3.9233702449   2.7018129358  -2.3455614692
H    2.9671439628  -4.0783110688  -1.4713332249
H    5.0287977629  -0.1602715808  -0.5489688475
H    6.1913586699   3.6849403951   0.4938192487
H    5.0071912689   3.3611040947   1.7721737967
H    4.4684441101   3.9622364801   0.1854727968
*