! 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    0.1909929312  -0.7452095401   0.9312900007
O   -3.5395318083   0.2513867873  -0.1104581854
O   -1.5988264639  -0.3668241209   2.2124658197
O    0.6213714963   0.8069337223  -2.1966160475
N   -0.4472610357   1.6327663913  -0.3614071152
N    1.8957705447   1.5089010428  -0.4639433502
N    3.9917572021   1.1130173412   0.0876639090
C   -0.4943820815   1.4926810189   1.0976527771
C   -1.4775994733   2.4506581059   1.7594305359
C   -1.7335596121   1.5724556597  -1.0592474265
C   -0.7315160244   0.0273601770   1.4751204119
C    0.6439813646   1.2695116993  -1.0760444852
C   -1.1725602749   2.6539282012   3.2367685642
C   -2.4419522136   0.2717934076  -0.9080689225
C    0.1548544266  -2.1543880497   1.2144453190
C    1.2835474408  -2.8169500674   0.4601007416
C   -2.2029914567  -0.9766592273  -1.3811396718
C    1.0980645230  -2.8285261448  -1.0572360514
C    2.3078323424   2.5843891445   0.2949356659
C    2.9589966850   0.6623385021  -0.5572948463
C   -3.2111178215  -1.8198871599  -0.8280209797
C   -3.9904771334  -1.0189393852  -0.0654354184
C    3.5988366466   2.3190271318   0.6149814448
C    2.2821303212  -3.4105715041  -1.7594808253
C    2.2576241718  -4.4869027884  -2.5360691918
H    0.4936324548   1.7264754380   1.4969982544
H   -1.4016294574   3.4143379761   1.2520197173
H   -2.5067343123   2.1115966137   1.6384987151
H   -1.5592040299   1.7915836641  -2.1097699275
H   -2.3603675234   2.3807214802  -0.6842819684
H   -0.1678451957   3.0542918987   3.3814388843
H   -1.8743296713   3.3653400789   3.6708598857
H   -1.2497048039   1.7299409096   3.8079080457
H   -0.8135794068  -2.5637350632   0.9170137412
H    0.2739320635  -2.3058992020   2.2888488987
H    1.3475963618  -3.8461679400   0.8202743129
H    2.2311539809  -2.3407894548   0.7304641195
H   -1.4021220351  -1.2634918136  -2.0424005303
H    0.9385001300  -1.8084094529  -1.4191810070
H    0.1963693758  -3.3916563861  -1.3125667894
H    1.6841711837   3.4397734647   0.4919099063
H    2.9146442600  -0.2647990851  -1.1057633985
H   -3.3372237847  -2.8790713595  -0.9818911973
H   -4.8684675627  -1.2002792727   0.5330582601
H    4.2708027404   2.9354611328   1.1895035461
H    3.2289934064  -2.8989372831  -1.6024557940
H    3.1534947883  -4.8596906848  -3.0157893088
H    1.3416386476  -5.0361095986  -2.7221547835
*