! 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    0.1106680252  -1.0894785962   0.4363132150
O   -1.4627576649  -0.1124723216  -1.9549402484
O   -1.3070755943  -1.1594415298   2.1661684193
O    2.1003502243   2.0600244629   0.8328724765
N   -0.0460726405   1.5704933172   0.2722975471
N    1.4678786493   2.4625649014  -1.2980925685
N    2.4486938261   3.6878690546  -2.8461265423
C   -0.2905963921   0.9382627964   1.5631259367
C   -1.3224940390   1.6691552582   2.4169466462
C   -1.2275982767   1.8627728504  -0.5419541778
C   -0.5875824648  -0.5473154923   1.4152145401
C    1.1990039701   2.0157861358   0.0187290402
C   -0.9487443009   3.1251536810   2.6450155862
C   -1.9717243527   0.6480228674  -0.9569199444
C    0.0254941589  -2.5082442910   0.2274842840
C    0.9616895927  -3.2686223336   1.1453630889
C   -3.1154754394   0.0875059813  -0.4945364983
C    0.9111375429  -4.7664763286   0.8430677492
C    1.1826477679   1.8638630188  -2.5080580961
C    2.2492971839   3.5461333697  -1.5707321517
C   -3.3181473370  -1.1041557822  -1.2540619008
C   -2.2828308590  -1.1721285084  -2.1209313906
C    1.7967946615   2.6347767926  -3.4394156621
C    1.8715228235  -5.5354292147   1.6916911506
C    1.5313301000  -6.4742419112   2.5666484193
H    0.6523438465   0.9676847581   2.1156038700
H   -2.3238587006   1.5932584251   1.9877403060
H   -1.3698246290   1.1579909282   3.3783762324
H   -0.9498052966   2.4684677671  -1.4010948408
H   -1.9083481967   2.4854989822   0.0407321438
H   -1.6782986970   3.6052952825   3.2966572970
H    0.0284623783   3.2120237104   3.1223548572
H   -0.9149025448   3.7020344391   1.7190641869
H    0.3113447509  -2.6521256396  -0.8139847931
H   -1.0061237539  -2.8455460047   0.3411699592
H    0.6917129944  -3.1012902086   2.1903168506
H    1.9817546582  -2.8991464245   1.0113389349
H   -3.7398081565   0.4733722426   0.2955280690
H    1.1571607935  -4.9243409341  -0.2123722683
H   -0.1038782081  -5.1441029893   0.9915480516
H    0.6223016523   0.9506330711  -2.5981629208
H    2.6132150591   4.2012839520  -0.7956491732
H   -4.1267960035  -1.8105510761  -1.1639756850
H   -2.0116442950  -1.8773146040  -2.8898249082
H    1.8102718776   2.4841706809  -4.5066952910
H    2.9214956771  -5.2803470626   1.5730070681
H    2.2742715631  -6.9922117340   3.1595106583
H    0.4976348138  -6.7616620282   2.7226024099
*