%chk=000207939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207939

0 1
Cl -9.507452 0.720519 0.069089
O 2.692732 -1.073252 -0.292809
O 0.569945 -2.432584 -0.756056
O 8.823173 0.159445 0.358721
N -3.621395 -0.010775 0.430104
N -0.916762 -0.718723 -0.578039
C -3.093684 -1.412344 0.420121
C -2.744512 0.949439 -0.308043
C -2.065122 -1.659828 -0.696161
C -1.258657 0.631164 -0.054835
C -5.031623 0.139520 0.242659
C 0.381821 -1.256017 -0.527617
C 1.499367 -0.246912 -0.263873
C -5.896244 -0.713185 0.973701
C -5.586888 1.175066 -0.539434
C -7.274638 -0.533952 0.919281
C -6.970265 1.357016 -0.587917
C -7.798512 0.500276 0.136611
C 3.902903 -0.449244 -0.111566
C 4.096991 0.921108 0.107287
C 4.983044 -1.358637 -0.166426
C 6.494135 0.510388 0.225494
C 5.405185 1.386719 0.274394
C 6.267096 -0.868277 0.002960
C 7.905005 0.954105 0.397809
C 8.165883 2.418347 0.622053
H -2.623589 -1.574519 1.419515
H -3.912954 -2.159478 0.329997
H -2.967872 1.970870 0.081129
H -2.947013 0.955773 -1.403804
H -1.693062 -2.714248 -0.655746
H -2.522745 -1.524804 -1.702358
H -1.042918 0.692661 1.037785
H -0.633506 1.392924 -0.572321
H 1.412487 0.224413 0.731585
H 1.561504 0.513985 -1.063802
H -5.485756 -1.500085 1.604647
H -4.957453 1.845849 -1.117795
H -7.940308 -1.188362 1.484050
H -7.397878 2.159201 -1.190945
H 3.269326 1.617900 0.148907
H 4.784116 -2.415997 -0.340184
H 5.561911 2.453342 0.445129
H 7.130312 -1.544287 -0.033105
H 7.686797 2.784854 1.537896
H 7.815166 3.030946 -0.217202
H 9.246808 2.604577 0.727416


%chk=000207939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207939

0 1
Cl -9.145294 1.673409 1.419673
O 2.733797 -1.360774 -0.260641
O 0.602356 -2.893992 -0.880877
O 8.749086 0.583709 0.874821
N -3.629630 -0.246812 -0.250742
N -0.906570 -1.122303 -0.760509
C -3.216507 -1.647018 -0.012210
C -2.666806 0.627495 -0.937851
C -2.059064 -2.034670 -0.946218
C -1.219784 0.304698 -0.511044
C -4.905899 0.201725 0.124541
C 0.377352 -1.663026 -0.717116
C 1.495113 -0.627870 -0.469337
C -5.721118 -0.575211 1.006780
C -5.438241 1.439011 -0.356260
C -7.001888 -0.133312 1.394722
C -6.715328 1.885339 0.039702
C -7.487139 1.096160 0.912297
C 3.896955 -0.616158 -0.034393
C 3.959266 0.800631 0.010456
C 5.070929 -1.392360 0.158620
C 6.381768 0.669642 0.447178
C 5.199654 1.427986 0.250592
C 6.293328 -0.753358 0.395793
C 7.715947 1.299578 0.706249
C 7.816012 2.822689 0.766085
H -2.911940 -1.807600 1.044714
H -4.068699 -2.323618 -0.218337
H -2.863598 1.677774 -0.658581
H -2.753311 0.558090 -2.044593
H -1.707473 -3.057279 -0.730440
H -2.398899 -2.013844 -2.000434
H -1.101474 0.550319 0.565256
H -0.537247 0.958256 -1.087420
H 1.260058 -0.006341 0.420163
H 1.584401 0.044811 -1.350146
H -5.352382 -1.519035 1.418043
H -4.877878 2.050896 -1.069225
H -7.607431 -0.738878 2.075758
H -7.107742 2.832414 -0.342772
H 3.066019 1.414982 -0.136155
H 4.986395 -2.482034 0.115607
H 5.236376 2.522032 0.283855
H 7.211666 -1.329714 0.547706
H 7.175817 3.233292 1.569198
H 7.492103 3.282085 -0.186506
H 8.861845 3.103076 0.962301


