! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
O    3.8920609301   0.4354554464   0.0003007083
O    2.2265152909   1.8401947847   0.0002520219
N   -0.3509718514  -1.3392321037   0.0013701444
N   -0.2711194331   0.8298728682   0.0003289613
N    1.7980083349  -0.4362672958  -0.0000839747
C   -1.6592513218  -0.9053145053   0.0010712542
C   -1.6078883406   0.4887759179   0.0004013533
C    0.4930194076  -0.2842486241   0.0004953660
C   -2.8633955235  -1.5857237688   0.0009864696
C   -2.7577738718   1.2566844826  -0.0004043855
C   -4.0207017551  -0.8175117352   0.0002292869
C   -3.9692717527   0.5770934878  -0.0004967358
C    2.5713946981   0.6606588690  -0.0005214882
C    4.3964498179  -0.8944704462  -0.0004516498
H   -0.0392596440  -2.2984152446   0.0001816762
H   -2.9026018034  -2.6662514577   0.0014924524
H   -2.7155768764   2.3370841153  -0.0013103239
H   -4.9818482375  -1.3131792794  -0.0002774722
H   -4.8911078549   1.1424899375  -0.0019338041
H    4.0900056667  -1.4471634612  -0.8878515369
H    4.0920867595  -1.4473678327   0.8875457962
H    5.4801048757  -0.8009196043  -0.0019111414
H    0.1305888921   1.7563403832  -0.0010193169
*