! 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
Cl  -2.7529201559   3.6350455537   0.3451358315
N   -0.7857102599  -2.4833610294  -0.6342988962
N   -0.7349264913  -3.5363257821   0.1882234373
N   -2.7927982751  -2.6393447390   0.1848125416
N    1.9492621329  -2.0244928099   1.7227548991
C    1.1353375675  -0.8945699704  -0.4903310409
C    2.3932359801  -0.4936669932  -1.3038737918
C    0.3871603590  -1.9839989444  -1.3014145618
C    3.0996176564   0.7890901238  -0.8813544445
C    0.1962106648   0.2708852085  -0.2294379763
C    3.6029867777   0.8428863198   0.5552026806
C    1.5738308548  -1.5106505452   0.7633013670
C   -0.1941940571   1.0682177145  -1.3037652702
C   -0.3449913494   0.5326671685   1.0222864707
C    4.4135714128   2.1020936622   0.8227763506
C   -1.0980792696   2.1024580402  -1.1358449158
C   -1.2513081211   1.5676597188   1.2081330592
C   -2.0124195503  -1.9557519860  -0.6138246920
C   -1.6215385416   2.3440967461   0.1255354354
C   -1.9568384846  -3.5883707172   0.6480818772
H    2.0892367374  -0.3946509583  -2.3485144190
H    3.0908936001  -1.3339457679  -1.2769878451
H    1.0485496024  -2.8227439214  -1.5086470978
H    0.0873674590  -1.5590721434  -2.2578243109
H    2.4489043848   1.6480813732  -1.0655227794
H    3.9492279523   0.9124524427  -1.5587503486
H    4.2113228732  -0.0405134771   0.7695797735
H    2.7626553427   0.8133566674   1.2539899596
H    0.2017945012   0.8931169537  -2.2961323747
H   -0.0738080844  -0.0651490470   1.8828629933
H    4.7643361755   2.1380376330   1.8546082983
H    3.8177683647   2.9999961629   0.6476469261
H    5.2896917723   2.1572262001   0.1739581592
H   -1.3872065730   2.7102241424  -1.9820091373
H   -1.6608977140   1.7545184542   2.1910035314
H   -2.2956738345  -1.0994174432  -1.2058598376
H   -2.2631207364  -4.3530253456   1.3444407501
*