! 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   -0.6898339945  -2.7250719027   0.1836316658
O    2.5366649881   2.4940032122   0.4507791971
O    0.5595918367   3.3861442901  -0.1021556097
N   -0.9147958295  -0.4648789306   0.2506188645
N    1.0683419021  -1.4940411708   0.9183300580
N   -1.4789564368   1.6155638266  -0.1451453472
N    0.8144512746   1.1325632283   0.3738318563
C    2.8390023912  -2.7876649067  -0.2520397975
C    2.0058554303  -2.5971985769   1.0078066785
C   -2.2940414904  -0.4546774106  -0.0112465635
C    3.7781208295  -1.6244726223  -0.5467624874
C   -2.6344352919   0.8728443764  -0.2567119696
C   -0.4378205479   0.8295363520   0.1670528097
C   -0.1595629349  -1.6583778756   0.4362848913
C   -3.2683011888  -1.4409282015  -0.0236422446
C   -3.9268342849   1.2717809242  -0.5365629809
C    4.6345084912  -1.8666353933  -1.7799579755
C   -4.5717061638  -1.0461041674  -0.3026484437
C   -4.8993385728   0.2827761006  -0.5591363261
C    1.2289323478   2.4137616542   0.2135078766
C    3.1455198193   3.7740695821   0.3139790284
H    2.1765641548  -2.9629092615  -1.1054508378
H    3.4264761507  -3.7017478126  -0.1254110104
H    2.6601581210  -2.3961393592   1.8569399715
H    1.4597446300  -3.5080157968   1.2455534088
H    3.2067616507  -0.7013649915  -0.6811836036
H    4.4249843417  -1.4582974101   0.3201080708
H    1.4267132565  -0.5416340740   0.9441378378
H   -3.0459524189  -2.4760335106   0.1733839670
H   -4.1647201376   2.3094815526  -0.7249465890
H    4.0189044333  -2.0012815322  -2.6712250814
H    5.3076742047  -1.0297679425  -1.9693387120
H    5.2474568651  -2.7626251730  -1.6660146164
H   -5.3490125176  -1.7977114088  -0.3194408874
H   -5.9247647741   0.5500977302  -0.7743364711
H    4.1975941662   3.6284203052   0.5428670447
H    3.0541867179   4.1588307250  -0.7018981073
H    2.7282294369   4.4989791961   1.0130354471
H   -1.3811450335   2.6138119512  -0.2668849712
*