! 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   -2.3198694502  -0.9058155542  -1.0009738688
O   -0.3646334564   3.3907907856  -0.4866756807
O   -1.7091827052   1.3676664699   0.6755758655
O   -3.3068692603  -1.3620033817   0.9441883897
N   -0.0604105004  -0.1303590510   0.3684682584
C   -0.9022093243  -1.2158791513   0.8667031450
C    1.3271570569  -0.3967925292   0.1685688997
C    2.2568730848  -0.0465590799   1.1532039674
C    1.7228479267  -1.0380737867  -1.0150829675
C   -0.9138621203  -1.3271674445   2.3814550624
C   -0.5701849063   1.1193523439   0.3106568169
C   -2.3131256903  -1.1366637758   0.2971959177
C    3.5973835555  -0.3663984931   0.9370304764
C    3.0664332079  -1.3433915311  -1.1870839475
C    1.9025791465   0.6830423437   2.4169467121
C    0.7340307227  -1.3753734048  -2.0887828598
C    3.9999910169  -1.0145759411  -0.2147338359
C    0.3370187524   2.2025054566  -0.2630322364
C   -3.5895820151  -0.8198375129  -1.6449049366
C   -1.1200515746   3.3842070198  -1.6812087699
H   -0.4769442616  -2.1420671131   0.4661377737
H    0.1009691049  -1.4590812299   2.7531092492
H   -1.3464166026  -0.4475376591   2.8557632877
H   -1.4830128835  -2.2012039472   2.6928358303
H    4.3283233755  -0.0999270072   1.6908204501
H    3.3857809199  -1.8374812657  -2.0960651473
H    2.3910009620   1.6587348716   2.4409405264
H    0.8375242780   0.8494450081   2.5521070848
H    2.2577522337   0.1332162254   3.2890207282
H    1.2494555950  -1.7048961110  -2.9893343702
H    0.0612576833  -2.1805117229  -1.7895028039
H    0.1097792529  -0.5217868862  -2.3518149164
H    5.0439376693  -1.2577965206  -0.3627498626
H    1.1338677937   2.4257297715   0.4514410545
H    0.8267646443   1.8387237710  -1.1765442579
H   -3.3816109546  -0.6144346943  -2.6907943506
H   -4.1893963832  -0.0085846380  -1.2328638483
H   -4.1429058186  -1.7552177193  -1.5670322475
H   -0.4813101988   3.2439511835  -2.5597911453
H   -1.6090411763   4.3537285875  -1.7643126044
H   -1.8934963352   2.6109412658  -1.6913389116
*