! 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    0.5577131164   0.4906352749  -0.6426055351
O   -3.8862351226  -1.0760163544  -0.2845431669
O    1.8358458541   0.8159153434   1.1935248975
O   -5.9015583166  -0.3286669407   0.3576788166
N   -4.1045601038   1.0228027679   0.4798193704
N    2.5649347191  -0.3989026875  -0.6081465391
C   -2.7953203523   1.4843340446   0.3266888927
C   -0.4584673786   1.3019692914  -0.1720296245
C   -1.7016512530   0.7035432846  -0.0452573397
C   -2.5935088779   2.8419594602   0.5911470515
C   -0.2459861459   2.6457227722   0.0742564922
C   -1.3378051731   3.4059241712   0.4672460786
C    3.8652311377  -0.7684474579  -0.2440097565
C    4.5739386321  -0.2085934865   0.8177851758
C    4.4793661777  -1.7386430374  -1.0378041575
C    1.6855900148   0.3459046466   0.0920634906
C   -4.7092606659  -0.1610604758   0.1900446999
C    5.8753820303  -0.6251831651   1.0660936734
C    5.7783069435  -2.1405635825  -0.7800861879
C    6.4881274499  -1.5862173008   0.2767877653
C   -4.4345753395  -2.3613969943  -0.6270192847
C   -3.2918142134  -3.2345965232  -1.0757752863
H   -1.7866771856  -0.3509016350  -0.2498902585
H   -3.4301388000   3.4623024708   0.8878438214
H    0.7272633550   3.0997562811  -0.0485180873
H   -1.2085227786   4.4598686138   0.6719641425
H   -4.7559723176   1.7162866345   0.8187494848
H    2.2421143511  -0.7568685396  -1.4961127886
H    4.1377487204   0.5492754705   1.4478111160
H    3.9352352481  -2.1790773559  -1.8648032135
H    6.4148677979  -0.1788913119   1.8911227519
H    6.2345861507  -2.8914113174  -1.4113934993
H    7.5040680833  -1.8969070154   0.4791160452
H   -5.1716687302  -2.2426642164  -1.4225322944
H   -4.9337413420  -2.7905252130   0.2426514135
H   -2.5584301642  -3.3784672532  -0.2823271750
H   -2.7868940431  -2.8223754231  -1.9493257527
H   -3.6828344151  -4.2142148807  -1.3490540894
*