! 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  -4.6118122370   1.9644631801   0.2839366483
F   -0.3642143346  -1.8407049855  -1.6799515125
F   -1.1567957872  -2.9980886799  -0.0495741646
F   -2.4571034447  -2.3190234292  -1.6158788337
O    2.4403635089   1.5514642836  -0.1870804551
N    2.7279885062  -1.2752609494   0.5479157325
N    0.5211678743  -0.8691273533   0.9335295330
N    4.0522604979  -2.7932293061   1.4490955626
C    1.5602694571  -0.5627709163   0.2799080126
C    1.6716086455   0.5219209678  -0.7584176111
C    2.3599137752   2.7763649464  -0.9006513424
C   -0.6752812930  -0.1839046538   0.7352948585
C    1.1458730546   3.6051409968  -0.5165059677
C   -1.6756794843  -0.7012714690  -0.0948561795
C   -0.9163040439   1.0045513081   1.4180774899
C   -2.8866658578  -0.0376260115  -0.2339813878
C    3.9823793784  -1.0793445982   0.0008689876
C    1.1214982953   4.9225708726  -1.2768367547
C    2.8432239913  -2.3274115918   1.4159379664
C   -1.4190019270  -1.9650080269  -0.8559843503
C   -2.1212866759   1.6698597829   1.2822508872
C   -3.0999232208   1.1415510646   0.4574903020
C    4.7730798358  -2.0194918229   0.5681750460
H    0.6681721373   0.8587559962  -1.0309908912
H    2.1328546918   0.1260834036  -1.6719251940
H    2.3709677870   2.5907305454  -1.9820076451
H    3.2724089540   3.3267171351  -0.6617070538
H    0.2238663193   3.0528577161  -0.7187901999
H    1.1688041160   3.7948141037   0.5595265391
H   -0.1509379334   1.4096693258   2.0660382653
H   -3.6615872167  -0.4264385063  -0.8792175816
H    4.2041250564  -0.3117093780  -0.7186388658
H    0.2660488515   5.5298620163  -0.9819967062
H    2.0217140858   5.5099420868  -1.0873787004
H    1.0537083512   4.7609911479  -2.3539241914
H    2.0059975050  -2.7011093835   1.9807188259
H   -2.2874456941   2.5957534068   1.8151695008
H    5.8238248398  -2.1840884115   0.3940808725
*