! 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    3.0969358385   2.4311973696   0.4079940307
O    1.0728375508   0.7799288898   0.8236697544
N    2.1465357869  -1.0975908157  -0.0231027407
N    1.9999851200  -1.8520887456  -1.1178102616
N    2.4177009754  -3.1355885465   0.6731727627
C    4.6135529265   0.8170391581  -0.4857361702
C    3.3601140523   1.0478725495   0.3884933661
C    2.0648357243   0.3446436266  -0.0706610954
C    5.0969116772  -0.6354495494  -0.4172719978
C    4.3700358783   1.1991429611  -1.9465982704
C    5.7363433693   1.6946969228   0.0828200928
C   -0.2482475321   0.6077103987   0.5391947150
C    2.3949960875  -1.8768878251   1.0339220123
C   -0.7444626361   0.0382481484  -0.6261826980
C   -1.1307936187   1.0518041372   1.5199273300
C    2.1743699068  -3.0606979656  -0.6511038242
C   -3.0182377107   0.3312890301   0.1836616643
C   -2.1171939709  -0.0929748384  -0.7891675629
C   -2.4932340708   0.9151284184   1.3397053020
C   -4.4731568226   0.1515924234   0.0112507406
C   -5.0684253411   0.2505631986  -1.2483158432
C   -5.2893149714  -0.1372393586   1.1073088324
C   -6.4332012977   0.0611042208  -1.4069568074
C   -6.6545331956  -0.3225921482   0.9494581656
C   -7.2330082457  -0.2267052777  -0.3089946823
H    3.5946074549   0.6847522092   1.4016239980
H    1.8263368899   0.6151400900  -1.1023832327
H    6.0896044424  -0.7051349638  -0.8655373909
H    5.1846547417  -0.9911897135   0.6115954357
H    4.4649314776  -1.3287334640  -0.9702385150
H    5.2947064502   1.0915214293  -2.5165161363
H    4.0412536307   2.2333968978  -2.0539958372
H    3.6284049034   0.5583189310  -2.4273227963
H    5.5342557318   2.7589119939  -0.0268655730
H    6.6705077662   1.4836780329  -0.4401274404
H    5.9045186664   1.4918083856   1.1432129759
H    2.4387627231   2.6085325208   1.0881761861
H    2.5451137188  -1.4997673830   2.0331201369
H   -0.0975793487  -0.3287516647  -1.4102251881
H   -0.7437708448   1.5099346529   2.4211331017
H    2.1194298034  -3.9270883323  -1.2907306976
H   -2.4798590945  -0.5655343764  -1.6930025334
H   -3.1563270331   1.2850543285   2.1111306165
H   -4.4647262297   0.4937851503  -2.1137857089
H   -4.8537006053  -0.2406440808   2.0932347194
H   -6.8735845002   0.1458058337  -2.3917892655
H   -7.2660244178  -0.5523132378   1.8122256574
H   -8.2975193810  -0.3753021310  -0.4329717677
*