! 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    3.9380903704   0.3246732549   1.3677383553
O    1.3139989616   0.3504224448   0.6094338534
N    2.2634823341  -1.6751542932  -0.0578939137
N    2.6268123200  -2.2057320125   1.1165264331
N    2.2282555674  -3.8219602212  -0.3830719616
C    3.8168085620   1.8091948364  -0.5184825354
C    3.6182937725   0.3686594529  -0.0003094746
C    2.2284901784  -0.2359796491  -0.2622551059
C    2.9790266162   2.8507485996   0.2257006206
C    5.3001090163   2.1548014090  -0.3410295555
C    3.4876731012   1.8678051158  -2.0113643012
C   -0.0241282701   0.2921662127   0.3737117869
C    2.0368620377  -2.6516667073  -0.9385514207
C   -0.8140108171   1.0103096924   1.2681091532
C   -0.6266164688  -0.4068049560  -0.6642369679
C    2.5870597446  -3.4893562287   0.8711938687
C   -2.8164565640   0.3188757140   0.0958206116
C   -2.1875078109   1.0233032434   1.1255631919
C   -2.0096900306  -0.3890272851  -0.7893353862
C   -4.2854216954   0.3264143567  -0.0441522495
C   -5.0164940623   1.4959644013   0.1724026862
C   -4.9773183105  -0.8352571446  -0.3917791603
C   -6.3976378542   1.5036356577   0.0457845708
C   -6.3587528429  -0.8277719821  -0.5173506108
C   -7.0750035220   0.3415160258  -0.2988175465
H    4.3069938486  -0.2601979188  -0.5865242907
H    1.9580176500  -0.0952975162  -1.3123804415
H    3.2769532588   3.8509842188  -0.0953887756
H    1.9122170013   2.7576863530   0.0250744721
H    3.1242281987   2.8017306957   1.3049310622
H    5.5110780754   3.1348218620  -0.7722715903
H    5.9443556193   1.4298609965  -0.8438452216
H    5.5927055485   2.1919221859   0.7081512999
H    4.0198730650   1.1006561749  -2.5787359050
H    3.7809065639   2.8358918935  -2.4201883942
H    2.4208466324   1.7555470313  -2.2138392781
H    3.8255318718  -0.5828317773   1.6826688389
H    1.7498981900  -2.4689091342  -1.9622978950
H   -0.3451238656   1.5534000023   2.0786386397
H   -0.0602562443  -0.9635597688  -1.3962921310
H    2.8260629027  -4.2173234721   1.6298598412
H   -2.7792407810   1.5773082374   1.8431250001
H   -2.4557602827  -0.9316365982  -1.6130505528
H   -4.5014172086   2.4150190423   0.4232497374
H   -4.4351048051  -1.7602154388  -0.5446579627
H   -6.9446384281   2.4227731353   0.2101114058
H   -6.8772397058  -1.7411992505  -0.7779242201
H   -8.1526087274   0.3469979911  -0.3955049635
*