! 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   -0.7323793542  -2.7300633535   0.4489015567
O    2.5473113547   2.4948346415   0.3714329770
O    0.5537828283   3.3778613987  -0.1341246499
N   -0.9094133532  -0.4704736310   0.2866628129
N    1.0938964628  -1.4737505814   0.9323550087
N   -1.4661229885   1.5994945503  -0.1745853686
N    0.8286152914   1.1257525402   0.3358491127
C    2.8283603764  -2.8273203601  -0.2110787742
C    2.0281311921  -2.5757366762   1.0600486340
C   -2.2900961710  -0.4624478964   0.0260872369
C    3.7308173273  -1.6642272321  -0.6054114462
C   -2.6240733868   0.8583454596  -0.2626341777
C   -0.4271468685   0.8191398886   0.1548564398
C   -0.1670218664  -1.6564727809   0.5533051652
C   -3.2703738152  -1.4434832771   0.0283187676
C   -3.9114064865   1.2566336208  -0.5647655361
C    4.5264764912  -1.9447792184  -1.8708285259
C   -4.5690345555  -1.0496294765  -0.2738571362
C   -4.8891752931   0.2730448609  -0.5680433013
C    1.2353336061   2.4083793323   0.1623002109
C    3.1412284277   3.7824264543   0.2410803651
H    2.1423870336  -3.0654673656  -1.0298423629
H    3.4392902144  -3.7199627646  -0.0487532784
H    2.7038741677  -2.3375282007   1.8825505415
H    1.4839142045  -3.4717903530   1.3517947021
H    3.1364772202  -0.7579806208  -0.7525784974
H    4.4177425285  -1.4476023511   0.2183044296
H    1.4588930362  -0.5251710049   0.8694575504
H   -3.0578573005  -2.4747555380   0.2520909041
H   -4.1394431590   2.2899254868  -0.7865291979
H    5.1676604778  -1.1023198306  -2.1323109639
H    5.1660436324  -2.8210769517  -1.7519437411
H    3.8669209209  -2.1316595059  -2.7200239991
H   -5.3490474524  -1.7985097290  -0.2796506111
H   -5.9111273880   0.5389669443  -0.8004601588
H    3.0275496980   4.1800789693  -0.7676321357
H    2.7281406876   4.4930535053   0.9571380645
H    4.1984286481   3.6446312049   0.4495785233
H   -1.3664681796   2.5929100622  -0.3295849039
*