! 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    4.0595331857  -0.3686264107   0.0181752480
O    0.3845450444   1.6055677629  -0.0263907338
N   -0.5129210089  -0.4855058728  -0.0034015526
C    1.8547401697  -0.2274128881  -0.0106865770
C    3.0217657059   0.4853138194   0.0250883728
C    0.5251478146   0.3884411098  -0.0150386541
C   -1.8872074714  -0.2274039851  -0.0023920525
C    2.2283003306  -1.6139715159  -0.0416353840
C    3.3365074973   1.9311991862   0.0688872761
C    3.5730594660  -1.6376641291  -0.0232541788
C   -2.7279089385  -1.3432492371   0.0437042794
C   -2.4573058532   1.0465432152  -0.0464517579
C   -4.1034540881  -1.1932430125   0.0466746126
C   -3.8397004896   1.1798380828  -0.0427811304
C   -4.6727787686   0.0728470421   0.0037343549
H    1.5914962780  -2.4839727092  -0.0780002800
H   -0.2780399928  -1.4658010815   0.0188315424
H    2.9457462730   2.4469318227  -0.8076668791
H    2.8952580775   2.4048585888   0.9452671081
H    4.4130130333   2.0884448270   0.1037491198
H    4.2987363380  -2.4339426544  -0.0358005443
H   -2.2991309946  -2.3381114566   0.0769992045
H   -1.8449684044   1.9313548784  -0.0836441577
H   -4.7315920115  -2.0734841251   0.0832521885
H   -4.2637555532   2.1749932080  -0.0767875827
H   -5.7476490496   0.1929768951   0.0067719426
*