! 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   -0.7899151830  -2.7652419118   0.2073250187
O    2.5606730448   2.3897407432   0.4161718953
O    0.5849541369   3.3394933075  -0.0385249558
N   -0.9507401035  -0.4984032997   0.2253837581
N    1.0344104779  -1.5625329974   0.8237034833
N   -1.4804289421   1.5987880778  -0.1287295099
N    0.8103932659   1.0655713125   0.3446659535
C    2.9074251999  -2.7233309824  -0.3049709464
C    1.9650030415  -2.6726771322   0.8898977012
C   -2.3324959570  -0.4582365493  -0.0217629219
C    3.8417280858  -1.5225461990  -0.4001925312
C   -2.6502996388   0.8793451717  -0.2416567665
C   -0.4503002377   0.7883194106   0.1551613362
C   -0.2194463493  -1.7081038592   0.4080835374
C   -3.3249909287  -1.4259649455  -0.0506823072
C   -3.9363128116   1.3073565801  -0.5070569095
C    4.7808615646  -1.6082257314  -1.5934203669
C   -4.6222169169  -1.0021163385  -0.3159811497
C   -4.9271843010   0.3371776109  -0.5437071688
C    1.2449362757   2.3443501538   0.2168076640
C    3.1867703848   3.6649593688   0.3203253947
H    2.3217562135  -2.8190663507  -1.2246455638
H    3.5028831567  -3.6368112338  -0.2199901952
H    2.5409001459  -2.5729000030   1.8114370164
H    1.4041704167  -3.6009124670   0.9717579988
H    3.2652395523  -0.5952212204  -0.4688012261
H    4.4259104095  -1.4495159293   0.5221257971
H    1.4029135011  -0.6129828607   0.8386599116
H   -3.1207927738  -2.4687337012   0.1230911596
H   -4.1548162996   2.3528983712  -0.6755912570
H    5.4035310754  -2.5034476725  -1.5460255297
H    4.2255116210  -1.6434318494  -2.5324255521
H    5.4471969284  -0.7460796795  -1.6383818421
H   -5.4127578923  -1.7393971537  -0.3455015716
H   -5.9484851770   0.6269993700  -0.7492123100
H    2.8044979073   4.3612788955   1.0670164983
H    4.2432532200   3.4932322729   0.5067434651
H    3.0691873756   4.1005264431  -0.6722324605
H   -1.3704942626   2.5974811478  -0.2324635756
*