! 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   3.9713143372   3.5975469900   1.2406321195
O   -0.6901647801  -0.4448782118   1.0829573782
N   -1.3673181311  -2.9010587875  -0.3929866969
N   -0.2815055032  -3.2138488547   0.3238503914
N   -0.2747005001  -4.3256189590  -1.6205674689
C   -1.6945800995  -0.4840517716   0.0921283119
C   -2.7799943564   0.5506490980   0.5346076543
C   -1.1368509006  -0.1388001260  -1.3158981928
C   -2.3085185684  -1.9009867662   0.0617544519
C   -3.4113293424   0.1586502112   1.8765763881
C   -2.1415844272   1.9335560528   0.7167762329
C   -3.8978261143   0.6636862147  -0.5062090621
C    0.3635993356  -0.3504587644  -1.5443258933
C    1.2580039691   0.6318280278  -0.8357438480
C   -1.3416533041  -3.5623425357  -1.5476001766
C    2.2444632893   0.2052428941   0.0473453904
C    1.1416349632   1.9994083359  -1.0721312276
C    0.3393183830  -4.0671656454  -0.4542097160
C    3.0845925642   1.1045614403   0.6877911664
C    1.9670564410   2.9168625227  -0.4407397034
C    2.9334940565   2.4588392345   0.4406478098
H   -1.3573880634   0.8998304474  -1.5633924689
H   -1.6766449284  -0.7165962938  -2.0710701939
H   -2.6522489512  -2.1989803818   1.0508194759
H   -3.1598244955  -1.9486426409  -0.6134856059
H   -2.6649742391   0.0365792404   2.6613660534
H   -3.9972648293  -0.7597941419   1.8208632315
H   -4.0971490635   0.9438836351   2.1996706621
H   -1.3583308800   1.9279955942   1.4734079181
H   -2.9042460904   2.6455887091   1.0381660907
H   -1.7078448749   2.3285003721  -0.2023866755
H   -3.5328426618   0.9655791664  -1.4886062879
H   -4.4548800806  -0.2664358015  -0.6310630428
H   -4.6188707466   1.4193019019  -0.1886732348
H    0.5314173274  -0.2488935734  -2.6200294169
H    0.6799605660  -1.3665016482  -1.3017282626
H   -0.1438297808  -1.2394482163   1.0154079607
H   -2.1182144604  -3.4748725970  -2.2906890461
H    2.3666024075  -0.8528003795   0.2474024099
H    0.3951143235   2.3676996893  -1.7656102551
H    1.2698642951  -4.5260982713  -0.1600294956
H    3.8424419460   0.7497846708   1.3730431312
H    1.8575576059   3.9746189811  -0.6386107756
*