! 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    4.0107242343   0.2135998800   1.3154190006
O    1.3518010342   0.3687486526   0.6247594024
N    2.2612950699  -1.6703712768  -0.0106976456
N    2.3325207395  -2.5424637509  -1.0204156180
N    2.3249908847  -3.6144828432   0.9491858124
C    3.8278101715   1.8055494359  -0.5702193367
C    3.6344768593   0.3673008215  -0.0318634890
C    2.2431690870  -0.2371499108  -0.2582450547
C    2.9941865143   2.8596502741   0.1625631780
C    5.3104808034   2.1554648418  -0.4060173563
C    3.4851657066   1.8405465740  -2.0609349058
C    0.0096523423   0.2902634131   0.4096415373
C    2.2618478524  -2.3205412290   1.1546687939
C   -0.7794063792   1.0490034089   1.2686876271
C   -0.5888237194  -0.4726452608  -0.5847291896
C    2.3698052942  -3.6895413766  -0.3942262260
C   -2.7806253086   0.2960933848   0.1305110611
C   -2.1535638943   1.0487416125   1.1268521711
C   -1.9712460900  -0.4596533777  -0.7130668561
C   -4.2484022333   0.3059051617  -0.0245161278
C   -4.9814296368   1.4748337888   0.1905652388
C   -4.9387116200  -0.8502590477  -0.3943227684
C   -6.3601048217   1.4875962506   0.0398239495
C   -6.3171653237  -0.8370136820  -0.5471040414
C   -7.0345274363   0.3319626151  -0.3308274874
H    4.3185890417  -0.2668030553  -0.6061729431
H    1.9461967717  -0.1185393116  -1.3031504673
H    3.2861341747   3.8535708837  -0.1817416458
H    1.9251822560   2.7603923903  -0.0207353324
H    3.1529394926   2.8486546322   1.2433748584
H    5.5122352961   3.1433652753  -0.8234893937
H    5.9522111439   1.4414915485  -0.9274557473
H    5.6147362036   2.1758986142   0.6405443208
H    3.7814418129   2.7988013816  -2.4902888283
H    2.4162117508   1.7290945041  -2.2513668987
H    4.0088813567   1.0593283212  -2.6169348619
H    3.4747929511   0.7980107152   1.8634365133
H    2.2010633950  -1.8361278164   2.1148841679
H   -0.3126658009   1.6353879326   2.0497208751
H   -0.0169559288  -1.0784499150  -1.2740365871
H    2.4265210087  -4.6228360440  -0.9315078285
H   -2.7452348486   1.6354897939   1.8178274972
H   -2.4144404280  -1.0452092418  -1.5082495310
H   -4.4708380015   2.3913671658   0.4587457611
H   -4.3987791388  -1.7763809179  -0.5472838210
H   -6.9072023976   2.4065111527   0.2050600027
H   -6.8322937898  -1.7458842370  -0.8292995572
H   -8.1098905800   0.3421058178  -0.4495149472
*