%chk=000257654.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257654

0 1
S 4.533429 0.095920 0.801068
S -0.875271 4.478767 -0.516476
S -3.853404 -1.836814 -1.683634
O 0.123383 3.945522 0.820276
O -4.215077 -0.266165 -0.986830
O 5.040083 0.004410 2.163864
O 5.437257 0.391130 -0.299922
O 0.005991 4.658591 -1.635155
O -1.574077 5.564936 0.096003
O -2.977320 -1.595109 -2.792151
O -5.167942 -2.368053 -1.838303
C 3.241190 1.239414 0.772284
C 3.751681 -1.426792 0.440755
C 2.903211 1.890118 -0.419055
C 2.563773 1.558493 1.959540
C 1.159687 3.083211 0.728578
C -1.853854 3.106497 -0.716145
C 1.854262 2.806686 -0.460895
C 1.515813 2.468422 1.951125
C 3.538775 -1.806264 -0.885700
C 3.386771 -2.281445 1.482930
C -3.408469 0.811084 -0.972498
C -1.513897 2.123665 -1.658887
C -3.009159 2.947402 0.073950
C -2.277708 0.970160 -1.794235
C -3.790027 1.809610 -0.043709
C -3.015623 -2.539494 -0.371520
C 2.932325 -3.034191 -1.173167
C 2.782578 -3.511198 1.200111
C 2.556959 -3.886028 -0.129126
C -3.729052 -3.180399 0.650187
C -1.616467 -2.468356 -0.313414
C -3.044912 -3.743900 1.730081
C -0.934073 -3.029887 0.766881
C -1.648904 -3.665921 1.789210
H 3.474893 1.688965 -1.333590
H 2.869147 1.090623 2.903443
H 1.630003 3.340698 -1.389928
H 0.977822 2.737585 2.857671
H 3.862274 -1.155311 -1.704575
H 3.590797 -1.998086 2.522065
H -0.634808 2.263780 -2.302083
H -3.292436 3.730290 0.789882
H -2.019037 0.229389 -2.559925
H -4.690358 1.663873 0.552413
H 2.770278 -3.332414 -2.207830
H 2.511695 -4.183499 2.011714
H 2.098955 -4.849935 -0.352741
H -4.822938 -3.245340 0.604165
H -1.053803 -1.977293 -1.115964
H -3.599401 -4.242640 2.525886
H 0.156135 -2.970561 0.814297
H -1.114847 -4.102949 2.635878


%chk=000257654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257654

0 1
S 2.894461 -0.936365 1.304858
S -0.784375 4.567346 -1.277639
S -2.433107 -2.472945 -0.647268
O 0.300586 4.474775 0.444842
O -3.522257 -0.800991 -1.021585
O 1.677628 -1.820799 1.971716
O 4.328177 -0.776783 2.072911
O 0.242645 4.562016 -2.534787
O -1.812093 5.781111 -1.001975
O -0.900898 -2.190698 -1.108062
O -3.351645 -3.581894 -1.366287
C 2.133224 0.780646 1.013966
C 3.272645 -1.609867 -0.429774
C 2.793719 1.721281 0.201576
C 0.919439 1.035983 1.674216
C 0.926440 3.252379 0.627019
C -1.648222 2.903158 -1.220724
C 2.173696 2.970889 -0.004029
C 0.310526 2.288078 1.475936
C 4.628426 -1.665609 -0.791078
C 2.216943 -2.059821 -1.238206
C -2.847172 0.403449 -1.077863
C -1.157088 1.883598 -2.056842
C -2.719760 2.735960 -0.322219
C -1.778957 0.622252 -1.998009
C -3.309416 1.461078 -0.237773
C -2.499945 -2.642762 1.226407
C 4.942385 -2.194228 -2.064982
C 2.555723 -2.582876 -2.508895
C 3.908846 -2.646130 -2.919363
C -3.739780 -2.994111 1.791157
C -1.310468 -2.448404 1.945959
C -3.778094 -3.158889 3.193980
C -1.380517 -2.627738 3.348773
C -2.604532 -2.974186 3.966490
H 3.752635 1.488544 -0.272639
H 0.468481 0.262760 2.304071
H 2.630150 3.733211 -0.642515
H -0.633834 2.542547 1.966129
H 5.399002 -1.330266 -0.088353
H 1.171037 -2.025932 -0.913912
H -0.329852 2.083861 -2.744947
H -3.076779 3.570693 0.289185
H -1.448607 -0.192239 -2.647159
H -4.140076 1.265404 0.446718
H 5.988289 -2.256433 -2.382728
H 1.758877 -2.945363 -3.166201
H 4.158765 -3.056928 -3.903574
H -4.627700 -3.147305 1.170584
H -0.351174 -2.201845 1.474870
H -4.720582 -3.435071 3.677279
H -0.464865 -2.503806 3.935083
H -2.644645 -3.109539 5.052461


