! 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   -0.5099413306  -2.6573101574  -0.7753146714
O    2.5390426529   2.6280643361   0.0517372665
O    0.4947772837   3.3883785870   0.5580773286
N   -0.7946204212  -0.4332744218  -0.3962712756
N    1.3040189345  -1.3117751084  -0.9230839761
N   -1.4746232058   1.5578215759   0.2197394766
N    0.8661462408   1.2271238573  -0.1897604743
C    2.7691305196  -3.1002433212   0.0638579427
C    2.2508646459  -2.3803553836  -1.1765192537
C   -2.1879153246  -0.5054710221  -0.2326274325
C    3.7760476289  -2.3308038127   0.9148720590
C   -2.6007318021   0.7660501437   0.1570184158
C   -0.3815845251   0.8555452180  -0.1140410443
C    0.0190333081  -1.5617204297  -0.7065827863
C   -3.1174860196  -1.5208936546  -0.3998296362
C   -3.9233756186   1.0783164608   0.4039951777
C    3.2260318938  -1.1298829304   1.6734886126
C   -4.4505917838  -1.2133656613  -0.1534062873
C   -4.8511255411   0.0594977158   0.2437332749
C    1.2203826545   2.4846674802   0.1729007340
C    3.0923911193   3.8901542773   0.4097375344
H    3.2514455656  -4.0159092319  -0.2884925052
H    1.9248488799  -3.4235208527   0.6802049272
H    1.7874358406  -3.1017494251  -1.8491186684
H    3.0841376439  -1.9399230613  -1.7249532342
H    4.2015972573  -3.0308492198   1.6384827318
H    4.6113400872  -2.0125520022   0.2832190443
H    1.6340183780  -0.3652848311  -0.7503501876
H   -2.8387968815  -2.5139164252  -0.7079657503
H   -4.2176840875   2.0741627443   0.7054491354
H    2.9713312583  -0.2954048751   1.0207366763
H    2.3276856305  -1.3922375609   2.2363063137
H    3.9617116113  -0.7576800891   2.3879005592
H   -5.1930125647  -1.9899351184  -0.2767577084
H   -5.8978517927   0.2589722758   0.4276926852
H    4.1637403189   3.8012072286   0.2514812757
H    2.7079063904   4.6949658667  -0.2170611870
H    2.9083366079   4.1295562947   1.4572385045
H   -1.4352261754   2.5339049969   0.4774619842
*