! 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    4.1170523855  -0.4389767391   0.0358175545
O    3.7166979662   1.8158911822   0.0407495858
O   -1.3590025466   2.4560842321  -0.0094564741
O   -3.9547724265   1.7861273349  -0.0341743962
O   -4.4805760795  -0.3738470797  -0.0424519110
N   -0.5976980601  -1.5602223022  -0.0090819013
C    0.4681367462  -0.6681026439   0.0025764451
C    0.2070569871   0.7090410767   0.0044566050
C    1.7916711838  -1.1554243386   0.0119577612
C   -0.3150777963  -3.0069513927  -0.0115972787
C    2.7879561625  -0.2234495391   0.0247329755
C    2.5389010898   1.1460871564   0.0278711003
C    1.2720386295   1.6359370674   0.0174684972
C   -1.8421474996  -1.1004084308  -0.0192572217
C   -1.1610300645   1.2397562518  -0.0081312524
C   -2.1905108770   0.2298787816  -0.0196467922
C    4.7504843990   0.8393544494   0.0488186744
C   -1.5340701222  -3.8980373483  -0.0184282767
C   -3.6342588699   0.5007113416  -0.0332093593
H    2.0312408729  -2.2078427100   0.0074274336
H    0.2936440687  -3.2229894308  -0.8891316281
H    0.2865355388  -3.2280640990   0.8695859235
H    1.0670381295   2.6971159371   0.0191445322
H   -2.6220875727  -1.8449403840  -0.0282752615
H    5.3721021219   0.9479344069  -0.8409897054
H    5.3509236355   0.9410674514   0.9539092095
H   -2.1476708565  -3.7685748179  -0.9095672918
H   -1.1782836709  -4.9274454692  -0.0171882623
H   -2.1567213226  -3.7692582319   0.8665400917
H   -4.9208151460   1.8688305301  -0.0476379208
*