! 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   -0.6711513202  -2.5471733620   0.3379810716
O    2.4138834654   2.7989996061   0.2083712997
O    0.3757371262   3.6115393502  -0.2313502771
N   -0.9283979314  -0.2952477963   0.1826623110
N    1.1227793962  -1.2294991373   0.7774933629
N   -1.5766160034   1.7568660945  -0.2337352522
N    0.7509837502   1.3633891704   0.1911954624
C    3.0294412472  -2.4348656865  -0.2335753457
C    2.0914250553  -2.2916839066   0.9561502039
C   -2.3175236896  -0.3352970040  -0.0262687420
C    4.0866425050  -3.5050826906   0.0013585915
C   -2.7096437822   0.9750884655  -0.2868702106
C   -0.4985224485   1.0120910829   0.0496457942
C   -0.1385287497  -1.4554080429   0.4297634800
C   -3.2607136617  -1.3517849790   0.0032954510
C   -4.0218648114   1.3284952899  -0.5336598606
C    5.0705673844  -3.6181519629  -1.1526280457
C   -4.5838009652  -1.0033242607  -0.2432551553
C   -4.9628060055   0.3097549808  -0.5095322882
C    1.1009582320   2.6638704855   0.0309818424
C    2.9583004169   4.1081054095   0.0718508798
H    3.5180076001  -1.4740872303  -0.4242267364
H    2.4478047122  -2.6742354357  -1.1288883171
H    2.6679082661  -2.0677176056   1.8552754896
H    1.5666294769  -3.2262891200   1.1458893981
H    4.6321986338  -3.2801607161   0.9226859050
H    3.5987502850  -4.4704539605   0.1642796307
H    1.4557975953  -0.2689083693   0.7223244981
H   -3.0017101344  -2.3767252010   0.2065687260
H   -4.2974983011   2.3546110658  -0.7340700768
H    5.8199199836  -4.3873761440  -0.9627817929
H    4.5643432666  -3.8752165282  -2.0847718862
H    5.5996141238  -2.6772610879  -1.3145674832
H   -5.3357956321  -1.7802653519  -0.2265304218
H   -6.0022072679   0.5408213140  -0.6979876133
H    2.8022227124   4.5086245561  -0.9298871389
H    2.5420982520   4.7984923892   0.8056032381
H    4.0253289511   4.0057261159   0.2487968844
H   -1.5168397727   2.7553580377  -0.3774643924
*