! 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    1.9863424084   1.5787973637  -0.0672205142
O   -0.5360774409   2.9410203367  -0.1059030052
N    1.7830269080  -0.6958130404   0.0140626661
N   -0.0807703955   0.6292684485  -0.0292257309
N   -2.1277605468   1.2566221165  -0.0439673545
N   -0.8463007783  -0.5077903596   0.0111694571
N   -3.2805733533   2.0038901194  -0.0678787740
C    3.1973508138  -1.0939774257   0.0307953956
C   -3.2581976747  -1.0054940553   0.0348551179
C   -2.0682514618  -0.1084992690   0.0021815899
C    3.9044746327  -0.5472775896   1.2693894200
C    3.1933427252  -2.6188459376   0.0845022432
C    3.9094111838  -0.6362719784  -1.2405355390
C    1.3288900237   0.5553330351  -0.0298661425
C   -0.8472435299   1.7686616405  -0.0658224195
C   -3.2755494143  -1.9080113144  -1.1968548342
C   -3.2745534150  -1.8195289902   1.3268816995
H   -4.1428870584  -0.3677359872   0.0130460290
H    1.0933539164  -1.4323344972   0.0469480660
H    4.9294400800  -0.9192310333   1.3033881583
H    3.9501329917   0.5407022934   1.2707019054
H    3.4033207305  -0.8703246890   2.1828454023
H    2.6948690428  -3.0480487503  -0.7868093663
H    2.6891222386  -2.9859242446   0.9805234239
H    4.2149316873  -2.9972151512   0.1013579449
H    3.9541946347   0.4487440643  -1.3195552537
H    4.9347679257  -1.0084356127  -1.2433929314
H    3.4124663912  -1.0242226252  -2.1307374333
H   -2.4132231609  -2.5747714854  -1.2112639896
H   -3.2711515456  -1.3293968846  -2.1207571999
H   -4.1750702597  -2.5233138112  -1.1940230748
H   -3.2755594934  -1.1774324364   2.2078677314
H   -2.4093435164  -2.4797241336   1.3899859643
H   -4.1715025834  -2.4375001907   1.3649833541
H   -3.2874873494   2.6338504669   0.7236369906
H   -3.3046307090   2.5543688930  -0.9160869135
*