! 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    2.5862042539  -2.5760516011   0.1281966722
O    2.4861375967  -0.8680871304  -1.3063163822
O    2.1594498254   0.9152331228   1.1557616235
O   -0.0002264347   2.7132969951  -0.7986575525
N    0.8621268211  -1.2234585832   0.3055777098
N    0.3051953461   0.0272006890   0.2260871417
C    0.8187592100  -1.9927504561   1.5390446886
C   -1.1043932697   0.0788790704  -0.0075389886
C    1.7466768866  -3.1331054540   1.1531118236
C   -1.9688485975   0.1928584489   1.0874600657
C   -1.5857811091  -0.0197158403  -1.3171407382
C    2.0192281616  -1.4805249904  -0.3805260640
C    1.0535541161   1.0805594593   0.6777115557
C   -3.3399248482   0.2221804341   0.8428572146
C   -2.9619026635   0.0025140732  -1.5140062227
C   -1.5109005679   0.2824229362   2.5156162867
C   -0.6904041837  -0.1501805139  -2.5106062548
C   -3.8345156753   0.1250338295  -0.4448961704
C    0.4393034383   2.4646748543   0.5072069631
C    1.0638642260   2.8546305149  -1.7174642979
H   -0.1864228152  -2.3452844260   1.7601828952
H    1.1954454111  -1.4179675955   2.3869416713
H    2.3725707508  -3.4725420843   1.9734058859
H    1.2025630209  -3.9801255139   0.7357893017
H   -4.0219832954   0.3178806702   1.6787946145
H   -3.3515411894  -0.0673519694  -2.5222339012
H   -0.4349690529   0.3586701380   2.6471159823
H   -1.9549476831   1.1498762782   3.0042525334
H   -1.8370360101  -0.5962580393   3.0739644020
H    0.3562713643   0.0227876841  -2.2852296992
H   -0.7715560921  -1.1498222045  -2.9416939543
H   -0.9871568703   0.5555571742  -3.2865394566
H   -4.9025338472   0.1485247689  -0.6175456503
H    1.1964636644   3.1886163237   0.8291598380
H   -0.4177609342   2.5766056539   1.1758049476
H    0.6311458774   3.0791254340  -2.6906647581
H    1.6649992367   1.9445508603  -1.8142100628
H    1.7334869119   3.6747912172  -1.4363619879
*