! 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   -0.7419294168  -2.5986359098   0.0549322975
O    2.4311615790   2.7058701971   0.0975845756
O    0.3760697141   3.5828451946  -0.0295155196
N   -0.9613520834  -0.3333256024  -0.0182702131
N    1.1351133635  -1.3446556600   0.1300338657
N   -1.6014725470   1.7614313242  -0.1020182693
N    0.7468421207   1.2960104299   0.0365275279
C    3.4710411422  -1.9406937612   0.3763349072
C    2.0516738246  -2.4646133442   0.2312675865
C   -2.3645303046  -0.3333636086  -0.0949529028
C    4.5022711011  -3.0429107649   0.5885522268
C   -2.7508718697   1.0035709970  -0.1471101314
C   -0.5177726138   0.9763594898  -0.0248571993
C   -0.1764302119  -1.5189732052   0.0582148440
C   -3.3221838265  -1.3363416908  -0.1234478597
C   -4.0717487295   1.3985973467  -0.2281155604
C    4.6466066850  -3.9970776745  -0.5886979881
C   -4.6541021746  -0.9459557482  -0.2050571955
C   -5.0278301134   0.3942468205  -0.2566448696
C    1.1053143554   2.6045230784   0.0290335524
C    2.9834044776   4.0185504836   0.1008324734
H    3.5081663837  -1.2530265492   1.2259335160
H    3.7366924894  -1.3578622946  -0.5113068885
H    1.7936532814  -3.0813015938   1.0959534434
H    1.9606165492  -3.0977198609  -0.6539689220
H    5.4675053297  -2.5714479628   0.7859777989
H    4.2514517382  -3.6073321848   1.4912698806
H    1.4885211328  -0.3896650885   0.1261256912
H   -3.0667312495  -2.3813106611  -0.0854826986
H   -4.3415893057   2.4449412539  -0.2665727207
H    3.7413502152  -4.5802830607  -0.7623051243
H    4.8730125007  -3.4564627331  -1.5098001837
H    5.4570186481  -4.7064603130  -0.4173770862
H   -5.4175543449  -1.7114137541  -0.2290334654
H   -6.0747162329   0.6573698671  -0.3196860335
H    2.6510068839   4.5955903781   0.9639732796
H    4.0604663259   3.8878116960   0.1570198622
H    2.7398613450   4.5626677375  -0.8118389405
H   -1.5351429309   2.7695565351  -0.1208533413
*