! 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    0.2473626055  -0.8714425940   1.1038910455
O   -1.5452797755  -0.4822522394  -1.7334377945
O   -1.0688271984  -0.3280548155   2.8249904988
O   -0.1276314096   2.7089854809  -1.8887812880
N   -0.4794651281   1.6218106683   0.0745616415
N    1.6806808092   2.2532944654  -0.6024532308
N    3.7547518745   1.5850225260  -0.2829590003
C   -0.0945269580   1.4222434146   1.4698381309
C   -0.7340868140   2.4437060085   2.4057242451
C   -1.8912060394   1.4080077009  -0.2460210237
C   -0.3810010578  -0.0178403830   1.8847158360
C    0.2868426513   2.2166368746  -0.8602429944
C   -0.4113684705   3.8719006866   1.9968711575
C   -2.1772082083   0.0058193249  -0.6392264539
C    0.0309643925  -2.2770739253   1.3040405160
C    0.7272669445  -3.0128429139   0.1819978754
C   -2.9916867839  -0.9405566119  -0.1156654738
C    0.3556097900  -4.4945497800   0.1961420569
C    2.4796023919   3.3534685556  -0.8172659736
C    2.5093103043   1.2149416424  -0.2932604760
C   -2.8493223422  -2.0970796391  -0.9437668761
C   -1.9569701769  -1.7618782271  -1.9015984574
C    3.7467352781   2.9217587468  -0.5960492969
C    1.0280885757  -5.2449364525  -0.9072566078
C    0.3952886253  -5.8507552470  -1.9047166222
H    0.9853436453   1.5478070732   1.5595502308
H   -1.8147390199   2.3064371514   2.4725730098
H   -0.3416195290   2.2542759217   3.4059104993
H   -2.1909156503   2.1035883635  -1.0285970686
H   -2.5018372507   1.6522231097   0.6225767064
H   -0.8681065879   4.1451190220   1.0444970013
H   -0.7876762672   4.5711300769   2.7429097241
H    0.6653289797   4.0337218508   1.9131363777
H   -1.0420607557  -2.4808150825   1.2932020601
H    0.4257513708  -2.5736999319   2.2784481900
H    1.8105521783  -2.8950334454   0.2707452612
H    0.4316708626  -2.5808858102  -0.7766392078
H   -3.6137130808  -0.8318329005   0.7581181893
H   -0.7294127446  -4.5988397576   0.1080303293
H    0.6406652744  -4.9295986171   1.1596001261
H    2.0806073986   4.3189287118  -1.0772402700
H    2.1458039363   0.2144602423  -0.1224857335
H   -3.3399322351  -3.0497722896  -0.8302942765
H   -1.5369460006  -2.2988295030  -2.7365984611
H    4.6549508552   3.5000780214  -0.6426773421
H    2.1142166182  -5.2692512125  -0.8778627715
H    0.9342294658  -6.3703701508  -2.6864903934
H   -0.6863029410  -5.8488977307  -1.9786917401
*