! 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    0.9992859551   0.7078241622  -1.2375847134
N    0.8267885270  -2.0805031284  -0.5722990634
N    0.6846997036  -2.9003516869   0.4723940523
N   -1.1517751657  -2.9490259324  -0.8155018452
C    3.3436278740   0.8166066971  -0.4141156089
C    1.9365431936   0.1422890390  -0.3612428382
C    4.0287253601   0.2345383364   0.8309609320
C    1.6150895695   0.2247941534   1.1170969488
C    2.9099592571   0.0310654756   1.8694190946
C    2.0390746139  -1.3273223912  -0.7929788252
C    3.1816225652   2.3303861135  -0.2500114393
C    4.1184306694   0.5444704204  -1.6957962908
C    0.4551411751   0.4741305488   1.7181285951
C   -0.2764123568  -2.1117687701  -1.3190549263
C   -0.5123455019  -3.3925405623   0.2820237002
H    4.8162770558   0.8950970457   1.1956424718
H    4.5117789060  -0.7152027154   0.5916658604
H    2.9832885379   0.7363504155   2.6976324049
H    2.9569152045  -0.9677645435   2.3088728411
H    2.8352880983  -1.8475235409  -0.2656921765
H    2.2699006177  -1.3764328257  -1.8572531087
H    4.1635200903   2.7988632590  -0.1682018999
H    2.6872133006   2.7885609846  -1.1093074649
H    2.6207189700   2.6042329594   0.6469360045
H    5.0672882596   1.0842526704  -1.6808742490
H    4.3584565032  -0.5110505740  -1.8298677673
H    3.5686618736   0.8809881836  -2.5771349029
H    0.8021618067   1.6086631873  -0.9632335339
H   -0.3910390964  -1.5382676757  -2.2240358119
H   -0.9401307046  -4.1109611761   0.9638084774
C   -0.8740224247   0.7104358818   1.1134664492
C   -3.4227833660   1.1550116484   0.0848870972
C   -1.8608825267  -0.2676975519   1.2003256337
C   -1.2072743110   1.9308918849   0.5290722761
C   -2.4709257309   2.1587387716   0.0057131804
C   -3.1308113218  -0.0582268968   0.6857672212
H   -1.6375582872  -1.2147376233   1.6736419009
H   -0.4779550417   2.7318129317   0.4933203690
H   -2.7065135048   3.1103646079  -0.4505266702
H   -3.8791335858  -0.8359740312   0.7533200804
Cl  -5.0067523268   1.4261933020  -0.5675771093
H    0.4642265337   0.4923387278   2.8062335344
*