! 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    0.6030639914   2.4735772324   0.2835787987
N   -1.1616634944   1.0878901832   0.0634183736
N   -1.0441067669  -1.2078517471   0.4312863543
N   -3.0240502291  -0.2509972816  -0.2086604132
C    2.4061201131   0.3264713687   0.9105875590
C    3.2225564643   0.5889588026  -0.3622071901
C    0.9366828128   0.1486189272   0.6558141678
C    3.2832521295  -0.5850290970  -1.3340185356
C    0.2704880667  -1.0561879943   0.7026142168
C    0.1808785183   1.3165193487   0.3336026038
C   -1.7294622449  -0.1380287594   0.1033882211
C    4.1793129424  -1.7225649728  -0.8639887875
C    0.9769568902  -2.3241134777   1.0728263534
C   -3.9113331055   0.8549327174  -0.5104310735
C   -5.2844128320   0.3410750556  -0.8849989073
H    2.5527236169   1.1708905144   1.5894790151
H    2.8099130670  -0.5413076435   1.4347178117
H    2.8078098980   1.4618720488  -0.8705072431
H    4.2412508746   0.8662125082  -0.0726792375
H    2.2719913576  -0.9576329154  -1.5258100450
H    3.6520804451  -0.2261170490  -2.2983906006
H   -1.7139166886   1.9023823458  -0.1753906002
H    4.1612498456  -2.5579771521  -1.5652296628
H    3.8804930010  -2.1130482068   0.1102004493
H    5.2157613419  -1.3916499920  -0.7741256154
H    1.4831767557  -2.2378310976   2.0348788784
H    1.7363541258  -2.5852194003   0.3350401678
H    0.2721373148  -3.1498110904   1.1327716540
H   -3.4190816397  -1.1717761085  -0.1006849374
H   -3.9934004727   1.5267819584   0.3489941380
H   -3.5077459680   1.4384200648  -1.3415195402
H   -5.2454660396  -0.2882035025  -1.7739913165
H   -5.7298654670  -0.2346473018  -0.0731690599
H   -5.9431778686   1.1812913075  -1.0972024932
*