%chk=000232950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232950

0 1
Cl 5.522975 1.265215 0.185993
Cl 6.425267 -1.656601 -0.121964
S -1.661533 0.215196 -1.130522
O -3.565226 2.957282 0.665078
O 1.128276 2.341146 -1.490868
N -4.150311 0.787776 0.495061
N 1.261228 1.995077 0.758220
N 2.636547 1.686883 0.765907
C -1.741946 1.427798 0.222581
C -0.913846 2.622093 -0.220337
C -3.190101 1.821390 0.450709
C -2.792538 -0.981897 -0.546827
C -3.934099 -0.580449 0.169139
C 0.551189 2.291863 -0.424994
C -2.587330 -2.324929 -0.865736
C -4.882609 -1.544003 0.566716
C -3.532959 -3.276725 -0.476277
C -4.673676 -2.882861 0.235679
C 2.988214 0.316582 0.475253
C 4.353580 0.018223 0.265544
C 2.062974 -0.743220 0.524635
C 4.761691 -1.311494 0.126062
C 2.493307 -2.063225 0.380410
C 3.844729 -2.362391 0.182359
H -1.344460 0.979846 1.167945
H -1.038206 3.465332 0.501242
H -1.307661 3.045442 -1.180551
H -5.109264 1.068620 0.734655
H -1.697660 -2.631510 -1.420327
H -5.770249 -1.251486 1.124040
H 0.831607 1.912388 1.679974
H -3.383677 -4.325838 -0.726610
H -5.408135 -3.631695 0.536893
H 3.148484 2.361549 0.154709
H 1.001766 -0.541572 0.661396
H 1.763822 -2.873641 0.420211
H 4.178930 -3.392967 0.070599


%chk=000232950-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232950

0 1
Cl 5.550040 1.448496 0.725537
Cl 6.678639 -1.568970 0.161448
S -1.747112 0.154162 -1.379766
O -3.524648 3.038464 0.616834
O 1.246102 2.391092 -1.527750
N -4.147834 0.815623 0.460593
N 1.200299 1.915989 0.754570
N 2.556559 1.600956 0.842854
C -1.764563 1.411463 0.056350
C -0.896854 2.626680 -0.324836
C -3.205934 1.836824 0.379554
C -2.905113 -1.038500 -0.613439
C -3.967948 -0.572243 0.208276
C 0.596256 2.304370 -0.454569
C -2.786387 -2.416971 -0.896289
C -4.896196 -1.501737 0.741649
C -3.726296 -3.335770 -0.378770
C -4.781264 -2.874508 0.442898
C 3.010404 0.300975 0.539676
C 4.410913 0.047801 0.483519
C 2.119562 -0.784824 0.331206
C 4.894956 -1.249265 0.234140
C 2.620532 -2.077753 0.086860
C 4.009437 -2.329071 0.038891
H -1.354625 0.875465 0.934268
H -1.068240 3.416012 0.431122
H -1.230424 3.034997 -1.292528
H -5.075446 1.125711 0.767165
H -1.961524 -2.766286 -1.526400
H -5.707024 -1.142990 1.387159
H 0.683292 1.956174 1.636996
H -3.630236 -4.401187 -0.610162
H -5.508848 -3.581256 0.854775
H 3.211253 2.375004 0.696561
H 1.042312 -0.597727 0.335286
H 1.921005 -2.903925 -0.076386
H 4.404054 -3.330079 -0.151294


