! 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  -6.4122046140   4.7521559380   0.5087763603
O    1.8136551710   1.0436556621   0.1403139296
O    1.3214082971  -2.9241765314   1.2116361151
N    2.3008887597  -1.1616611485   0.1613592073
N    3.1184156701  -3.3381693825  -0.1099709949
N    4.0884041394  -4.6152828836  -1.6179174351
C    1.2722438936  -0.1713863709   0.6044730589
C    3.4994762274  -0.4585603012  -0.3741567032
C    3.2150144437   0.9278324736   0.2016379143
C   -0.0553139376  -0.4003711774  -0.1139135370
C    1.1286862780  -0.1233891958   2.1245246934
C    4.8326598489  -0.9686183054   0.1539803166
C    3.5030703475  -0.3916461551  -1.8985474129
C   -1.1064241175   0.6672512692   0.1732628757
C    2.1724322699  -2.4511338554   0.4840394751
C   -2.3751184118   0.4375273110  -0.6502933904
C   -3.4066246916   1.4961269925  -0.3840594294
C    3.9699720742  -4.1671331302   0.5777784180
C    3.2218864830  -3.6623963705  -1.4255195770
C   -4.3670454822   1.3301397886   0.6103340825
C   -3.3953300052   2.6952773216  -1.0927114735
C    4.5719737533  -4.9282570781  -0.3738108556
C   -5.2938634527   2.3233158508   0.8925340159
C   -4.3124535381   3.7009252576  -0.8263835028
C   -5.2570352938   3.5040332526   0.1684807673
H    3.5850193891   1.0116909558   1.2310480704
H    3.6665156320   1.7246142332  -0.3876799191
H   -0.4512164952  -1.3763108259   0.1713618215
H    0.1394298381  -0.4382652896  -1.1898168744
H    0.5667709210  -0.9690653747   2.5101929350
H    0.5985384860   0.7859084341   2.4066557103
H    2.0982349870  -0.1073726458   2.6235491013
H    4.7979855067  -1.1754160243   1.2240531050
H    5.5830187539  -0.1923196516  -0.0048450797
H    5.1879743596  -1.8573905945  -0.3637864835
H    4.2824015084   0.2958030975  -2.2291084489
H    3.7198207577  -1.3567533546  -2.3512797320
H    2.5513023280  -0.0361009569  -2.2932930622
H   -1.3723546231   0.6658844563   1.2332157909
H   -0.7129258004   1.6615763073  -0.0509993327
H   -2.7852421190  -0.5481773977  -0.4172918769
H   -2.1204648358   0.4298139299  -1.7131022314
H    4.0883866385  -4.1150566108   1.6469667253
H    2.6010440313  -3.2113940869  -2.1826529412
H   -4.4000393747   0.4078439146   1.1776452975
H   -2.6602803038   2.8514856223  -1.8731775507
H    5.3289392415  -5.6824695709  -0.2314862356
H   -6.0348513733   2.1738626089   1.6661117459
H   -4.2900663281   4.6232797585  -1.3908336117
*