! 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    0.4242153473  -0.6968369676   0.8931437195
O   -3.3955060421   0.1212875062   0.0736023597
O   -1.2917908277  -0.3948963618   2.2916007431
O    0.6181155509   0.8237793150  -2.2518775512
N   -0.3929428902   1.6245938935  -0.3739812989
N    1.9445603836   1.6067289934  -0.5933236597
N    4.0767560143   1.3109083253  -0.1248280784
C   -0.3612227939   1.5041272178   1.0871389055
C   -1.3613037404   2.4213782699   1.7813641642
C   -1.7089248279   1.4998973689  -1.0041043210
C   -0.4978985220   0.0336476754   1.4934282470
C    0.6767174082   1.3016949360  -1.1390305724
C   -0.9967822616   2.6783184046   3.2364291951
C   -2.3573838392   0.1757760027  -0.7981344769
C    0.4935951742  -2.1010157464   1.1952820527
C    1.6395228982  -2.6908435107   0.4041638475
C   -2.1111641217  -1.0654315438  -1.2861914706
C    1.4312251993  -2.7362758663  -1.1123459486
C    2.3387969910   2.7088022795   0.1360650170
C    3.0394615769   0.8055504075  -0.7205303510
C   -3.0512525388  -1.9395006545  -0.6647003164
C   -3.8006849307  -1.1623426931   0.1508465212
C    3.6521617740   2.5045696815   0.4058992407
C    0.4340721035  -3.7645299429  -1.5448504476
C    0.6763334937  -4.7233822823  -2.4311511336
H    0.6306934474   1.7965935680   1.4353474507
H   -1.3642429141   3.3756225789   1.2507587651
H   -2.3750559638   2.0249811561   1.7204716099
H   -1.5973842634   1.7057257667  -2.0655025131
H   -2.3483904832   2.2887542366  -0.6105979743
H   -0.0051777206   3.1253177950   3.3236559951
H   -1.7085219156   3.3721398403   3.6827698144
H   -1.0080836851   1.7686573234   3.8348734951
H   -0.4610591931  -2.5742804901   0.9543402345
H    0.6704283983  -2.2282073046   2.2646625948
H    1.8040618526  -3.7037098143   0.7791927953
H    2.5507643724  -2.1323320891   0.6339843123
H   -1.3516108091  -1.3256913687  -2.0052442731
H    2.3888536112  -2.9380852007  -1.5970095367
H    1.1108678245  -1.7530587537  -1.4702090516
H    1.6866625204   3.5389687593   0.3481138163
H    3.0132072073  -0.1310614850  -1.2540432416
H   -3.1576786420  -3.0020804782  -0.8111948275
H   -4.6292190594  -1.3705178422   0.8082858993
H    4.3187733950   3.1571081829   0.9458591568
H   -0.5543766630  -3.7127308224  -1.0952172917
H   -0.0844558636  -5.4395141136  -2.7142255823
H    1.6417267124  -4.8240097626  -2.9144482228
*