! 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   -0.7765033004  -2.7588704864   0.2297154498
O    2.5590472399   2.4057561088   0.4081036690
O    0.5798364790   3.3482031319  -0.0464909764
N   -0.9447841249  -0.4926763012   0.2361806660
N    1.0420804482  -1.5480938901   0.8454638960
N   -1.4799311936   1.6005355392  -0.1325772102
N    0.8118248750   1.0767887144   0.3476611847
C    2.8921951875  -2.7387572831  -0.2917460185
C    1.9732591344  -2.6571814918   0.9194976934
C   -2.3260200902  -0.4583348247  -0.0147371868
C    3.8256456078  -1.5421128300  -0.4337626250
C   -2.6473417005   0.8768003235  -0.2439275683
C   -0.4479419928   0.7949550745   0.1585464230
C   -0.2100742852  -1.6990496772   0.4266633878
C   -3.3152379097  -1.4295219987  -0.0398139099
C   -3.9340704260   1.2988755019  -0.5155616709
C    4.7435537403  -1.6589441075  -1.6407074539
C   -4.6130779678  -1.0116731424  -0.3114179069
C   -4.9216288669   0.3251488333  -0.5487078506
C    1.2428392992   2.3558239720   0.2123819987
C    3.1819678729   3.6820813485   0.3037547614
H    2.2888183533  -2.8556891996  -1.1974365778
H    3.4880938584  -3.6509515867  -0.1962887355
H    2.5667070196  -2.5342188316   1.8269063417
H    1.4139378054  -3.5826828728   1.0363276570
H    3.2482382054  -0.6163789149  -0.5151450412
H    4.4260486598  -1.4466183105   0.4760391320
H    1.4095604371  -0.5981987243   0.8532428528
H   -3.1077840489  -2.4703650174   0.1415476747
H   -4.1558859596   2.3425041834  -0.6914581358
H    5.4090858946  -0.7986173362  -1.7196799588
H    5.3668465342  -2.5530080602  -1.5810042983
H    4.1718949883  -1.7182412350  -2.5686726629
H   -5.4011869961  -1.7516627420  -0.3383403301
H   -5.9432690425   0.6103105882  -0.7589986078
H    2.7990702118   4.3819602699   1.0467388094
H    4.2390972559   3.5137635517   0.4898809387
H    3.0620711268   4.1110691811  -0.6913068443
H   -1.3724227304   2.5988609565  -0.2422904250
*