! 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    1.2829768140   1.4787862264   0.7933726829
O   -4.8466768127  -1.6012003247  -0.0087971747
O    1.7203787979  -0.0097740044  -0.8518942817
O   -5.1675063306   0.6171383046  -0.1940599095
N   -3.0808542578  -0.2943149670   0.0614639571
N    3.2835008039   0.5637890811   0.7170969269
C   -2.2489991398   0.8252619922   0.0381609242
C   -0.0212686335   1.6585702413   0.3716945788
C   -0.9202400255   0.6100059752   0.4064216081
C   -2.6541379512   2.1039981054  -0.3467408244
C   -0.4028771871   2.9327039288  -0.0089526150
C   -1.7287191501   3.1366506209  -0.3572062262
C    4.3750319156  -0.2119465886   0.2962095437
C    5.6528053479   0.3061412088   0.4946005100
C    4.2260394368  -1.4836799623  -0.2521413411
C    2.0744369076   0.6089530839   0.1219288605
C   -4.4321506327  -0.3375507616  -0.0600731244
C    6.7697668574  -0.4357006044   0.1446221284
C    5.3519281892  -2.2115868575  -0.6098156379
C    6.6261613103  -1.6973298640  -0.4161471283
C   -6.2601393927  -1.8367348692  -0.1143707648
C   -6.4790550549  -3.3274874589  -0.0886813420
H   -0.6031869518  -0.3736116083   0.7307598471
H   -3.6706874909   2.3071595813  -0.6387876562
H    0.3130477312   3.7431346174  -0.0250518675
H   -2.0528962572   4.1243559136  -0.6559691384
H   -2.6201433207  -1.1787659271   0.2206866534
H    3.4675129759   1.2469145179   1.4381563099
H    5.7723309122   1.2933759462   0.9239522087
H    3.2484179216  -1.9213231560  -0.3867671591
H    7.7550835387  -0.0194883223   0.3070626344
H    5.2249345904  -3.1992821518  -1.0329983947
H    7.4970218836  -2.2757847788  -0.6933969336
H   -6.6380823507  -1.4078210786  -1.0439243527
H   -6.7761181967  -1.3547272229   0.7179247642
H   -7.5477059787  -3.5274604027  -0.1616571540
H   -6.1195535763  -3.7740393827   0.8382994807
H   -5.9904679289  -3.8221692549  -0.9280992951
*