! 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    3.9567449796   0.1227747975   1.3465208354
O    1.3264861247   0.2667559973   0.6327656729
N    2.2491896431  -1.6489397006  -0.3265159935
N    2.6308083718  -2.3420347184   0.7540181301
N    2.1719587475  -3.7292968421  -0.9446878276
C    3.8285292434   1.8529820344  -0.3188794746
C    3.6235766965   0.3568255629   0.0012776423
C    2.2263814256  -0.1952840330  -0.3254560569
C    3.4883675141   2.1146462477  -1.7872265065
C    3.0048463139   2.7902885920   0.5658722671
C    5.3160648232   2.1626538131  -0.1116443431
C   -0.0144496308   0.2418821326   0.4112512095
C    1.9867476003  -2.4905683034  -1.3277183270
C   -0.6304628948  -0.2362154422  -0.7381174957
C   -0.7943405469   0.7574042644   1.4434153074
C    2.5664076568  -3.5783723745   0.3334225942
C   -2.8129152577   0.3068909256   0.1827243023
C   -2.0150732938  -0.1985596523  -0.8393528925
C   -2.1697424789   0.7879333299   1.3264073692
C   -4.2840740545   0.3332395113   0.0675943951
C   -5.0913504378   0.1038911258   1.1838656830
C   -4.9045243835   0.5875825240  -1.1573248852
C   -6.4739914956   0.1305257792   1.0794542632
C   -6.2873461250   0.6119404496  -1.2622740218
C   -7.0786979767   0.3846833903  -0.1442231261
H    4.3010249227  -0.1900074682  -0.6733478575
H    1.9460387919   0.0934509594  -1.3418502470
H    2.4191703482   2.0405799067  -1.9950051474
H    3.7883616134   3.1265807016  -2.0643886132
H    4.0098158058   1.4260800418  -2.4563699116
H    3.3044098890   3.8228400561   0.3743737549
H    3.1623887419   2.6008145853   1.6276404437
H    1.9355685981   2.7278230457   0.3667159911
H    5.6197814712   2.0590547644   0.9299366337
H    5.5294360346   3.1901151450  -0.4120479035
H    5.9503950188   1.5076186580  -0.7137008608
H    3.8452313530  -0.8208020533   1.5306341594
H    1.6770450969  -2.1642126237  -2.3080711970
H   -0.0747125346  -0.6450201041  -1.5693956577
H   -0.3157396591   1.1433245189   2.3343196644
H    2.8125475406  -4.4072682982   0.9777010297
H   -2.4706869610  -0.5977083745  -1.7364068561
H   -2.7480362852   1.2142450885   2.1359955060
H   -4.6384625193  -0.1177046681   2.1422037027
H   -4.3039150695   0.7883981367  -2.0357810420
H   -7.0799643330  -0.0551170817   1.9565929975
H   -6.7471927015   0.8184717279  -2.2198358841
H   -8.1574010512   0.4055185224  -0.2255941496
*