! 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    0.2681406403  -0.7287239473   0.7972494399
O   -3.4846473494   0.1591970167   0.1200379051
O   -1.3244661949  -0.5502482630   2.3548586005
O    0.5190810577   0.9669370708  -2.0900664915
N   -0.4821598537   1.7011954705  -0.1762705110
N    1.8547199935   1.6469742554  -0.3963755770
N    3.9842745513   1.2947801636   0.0429347095
C   -0.4601469693   1.4460588432   1.2685998606
C   -1.4706169451   2.2743328603   2.0486408760
C   -1.7930781753   1.6276850435  -0.8255974463
C   -0.5892540400  -0.0540785942   1.5391777487
C    0.5832896619   1.3918039027  -0.9572364505
C   -1.2732901579   3.7702492621   1.8655403286
C   -2.4437863047   0.2901967050  -0.7418152382
C    0.2542786751  -2.1623511852   0.8433500118
C    1.1129783458  -2.6605406600  -0.2973198793
C   -2.1979716209  -0.9034968571  -1.3371378329
C    1.0974533800  -4.1795671036  -0.3582127596
C    2.2678484801   2.7006832260   0.3909878281
C    2.9370515832   0.8395853294  -0.5756694984
C   -3.1416295470  -1.8279190416  -0.7991965007
C   -3.8930645222  -1.1256247737   0.0798113087
C    3.5794448505   2.4634081582   0.6414487095
C    1.8963501647  -4.7819487370  -1.4698539907
C    2.5976845615  -4.1282841853  -2.3891052363
H    0.5244264958   1.7148490990   1.6568858374
H   -2.4954432141   1.9924479704   1.8052955547
H   -1.3355818060   2.0259881117   3.1019477223
H   -1.6711662651   1.9238690822  -1.8645761208
H   -2.4389910307   2.3804585659  -0.3746538628
H   -0.2703290489   4.0805156059   2.1635070807
H   -1.4292593158   4.0933863097   0.8357907215
H   -1.9803995757   4.3200087121   2.4859997540
H   -0.7724509880  -2.5211419984   0.7447567477
H    0.6425361580  -2.4977974385   1.8077766717
H    2.1387525401  -2.3040635252  -0.1675433483
H    0.7411725838  -2.2441579679  -1.2380358228
H   -1.4315314454  -1.1030360163  -2.0679736765
H    0.0657450551  -4.5375837897  -0.4475097281
H    1.4584080699  -4.5944233266   0.5891373397
H    1.6268843062   3.5245131229   0.6548301445
H    2.8899653433  -0.0672457944  -1.1570484525
H   -3.2439934143  -2.8738496067  -1.0382847199
H   -4.7225763108  -1.3903116014   0.7152941672
H    4.2578938852   3.0749842800   1.2135843674
H    1.8804505052  -5.8671168928  -1.5053569036
H    3.1415102164  -4.6626544541  -3.1573091981
H    2.6638033544  -3.0473942091  -2.4218837394
*