! 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    1.9773410143  -1.8956951233   2.0537391043
O    1.5486377678   0.2627202984   2.4380480807
O    0.0105165025   2.1454360850  -1.0977270504
O    2.6704814807   2.2202235555  -1.5708504319
N    0.8406481666  -0.8142845139   0.5228900743
N    0.0796586705   0.1869355338  -0.0084016170
C    0.8341715988  -2.1715771191   0.0124418483
C   -1.3463289957   0.0415440824  -0.0195131429
C    1.8410166700  -2.8175725397   0.9595351281
C   -1.9470508238  -0.5735570738  -1.1221067178
C   -2.1004026213   0.5320191472   1.0527173924
C    1.4458881143  -0.7137198561   1.7403596209
C    0.6769239215   1.2399141917  -0.6406149798
C   -3.3298980429  -0.7476224001  -1.1053637005
C   -3.4770930142   0.3402559108   1.0266955107
C   -1.1835366204  -1.0502944144  -2.3236998026
C   -1.4805884490   1.2670046692   2.2017214840
C   -4.0878822325  -0.3059351599  -0.0368883858
C    2.1972591501   1.2235315602  -0.7136202710
C    2.5858803436   1.8723311667  -2.9379315393
H    1.1674645249  -2.2155347083  -1.0224060281
H   -0.1581902088  -2.6195924304   0.0909702985
H    1.5031822962  -3.7736420507   1.3493975177
H    2.8174118328  -2.9427778544   0.4933503895
H   -3.8118252656  -1.2272041499  -1.9483855691
H   -4.0781986469   0.7127500696   1.8465749596
H   -0.1974132046  -0.6033174573  -2.4269171247
H   -1.0500097441  -2.1331977509  -2.3008257039
H   -1.7363881775  -0.8206958334  -3.2339426191
H   -0.9630615798   0.5946368832   2.8845667719
H   -0.7595712421   2.0141877548   1.8713691261
H   -2.2507393771   1.7806290314   2.7749810207
H   -5.1608075962  -0.4464452020  -0.0391861089
H    2.5606596824   0.2293978649  -1.0033928429
H    2.5955522362   1.4330326225   0.2827523806
H    2.9909458394   2.7034203363  -3.5132830301
H    1.5581192513   1.6992740349  -3.2706672378
H    3.1753219951   0.9770544096  -3.1626232162
*