! 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   -0.3683699441  -2.6010224832  -0.7317318490
O    2.5207418898   2.8281520330  -0.0916293522
O    0.4473156447   3.5134443544   0.3944171139
N   -0.6995865860  -0.3850093370  -0.3736188470
N    1.3887818813  -1.1928450712  -1.0254375887
N   -1.4267421265   1.5996729313   0.2090366574
N    0.9165985008   1.3303258963  -0.2273443221
C    3.4824692481  -2.0903895187  -0.0890285375
C    2.4242063978  -2.1968322872  -1.1799167030
C   -2.0869084930  -0.4949869476  -0.1747693783
C    2.9619270208  -2.2477316051   1.3353215202
C   -2.5289452666   0.7738719021   0.1909682327
C   -0.3201340195   0.9222910402  -0.1270416626
C    0.1313398026  -1.4901849729  -0.7162483929
C   -2.9915379126  -1.5409626392  -0.2841746714
C   -3.8532273254   1.0575958865   0.4616882275
C    2.3183721196  -3.5973064353   1.6199449825
C   -4.3262794076  -1.2629255244  -0.0126260927
C   -4.7551219212   0.0097334237   0.3548887251
C    1.2131749132   2.6243205142   0.0529748853
C    3.0078430031   4.1403778998   0.1718923377
H    3.9905052388  -1.1260162630  -0.1826407991
H    4.2398399535  -2.8529117396  -0.2920557853
H    1.9650772406  -3.1827973904  -1.1910594315
H    2.8987167551  -2.0631529808  -2.1535206633
H    3.8020263910  -2.1021055738   2.0188811208
H    2.2537938822  -1.4451888571   1.5621879524
H    1.6794110888  -0.2269312570  -0.8817379419
H   -2.6963187035  -2.5369723582  -0.5655519219
H   -4.1660863252   2.0536958446   0.7422316874
H    2.9986623634  -4.4181926322   1.3846887117
H    2.0506771450  -3.6857533332   2.6734989270
H    1.4057184055  -3.7505983531   1.0434664420
H   -5.0476633790  -2.0646572619  -0.0909295142
H   -5.8023396714   0.1853050572   0.5589146315
H    4.0797850321   4.0987220746   0.0004386291
H    2.5690622042   4.8777023310  -0.5004726994
H    2.8246360296   4.4398883285   1.2038830669
H   -1.4048827844   2.5834673389   0.4402392341
*