%chk=000197956.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197956

0 1
S 0.991502 1.452584 0.100711
S -1.505398 2.441253 0.799005
S 2.626195 -0.308643 2.603863
P 2.638423 0.385650 0.828715
P -3.092983 1.134224 0.440807
O 2.697133 -0.679587 -0.431407
O 3.941936 1.375742 0.661609
O -3.570528 1.397684 -1.110892
O -4.213582 2.026093 1.232519
O -2.832224 -0.275883 0.803154
C -0.251694 1.281083 1.424868
C 3.560561 -1.852591 -0.265766
C 4.168205 2.133228 -0.556587
C -3.220115 0.377880 -2.090950
C -5.595666 1.566904 1.171646
C 3.463157 -2.538232 -1.615708
C 4.597914 1.251760 -1.712448
C -1.779503 0.527828 -2.537898
C -5.807542 0.327808 2.018284
H -0.601570 0.228760 1.549853
H 0.109734 1.627042 2.415689
H 4.591669 -1.529706 -0.032398
H 3.154217 -2.483241 0.549967
H 3.287901 2.757971 -0.794781
H 4.994425 2.793827 -0.211447
H -3.441476 -0.632151 -1.693894
H -3.935699 0.626745 -2.902221
H -6.115950 2.453145 1.594030
H -5.902827 1.434062 0.117629
H 3.930097 -3.529712 -1.594935
H 2.410342 -2.666641 -1.910072
H 3.941328 -1.948939 -2.407476
H 4.949940 1.855405 -2.557886
H 5.418718 0.582261 -1.421342
H 3.782851 0.611834 -2.085300
H -1.621874 0.076821 -3.525336
H -1.491671 1.586882 -2.616036
H -1.063957 0.048222 -1.854411
H -6.874988 0.120337 2.159027
H -5.355007 -0.577814 1.586358
H -5.361591 0.445804 3.017458


%chk=000197956-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197956

0 1
S 0.574319 -1.069131 0.023390
S -0.937709 1.329112 1.521826
S 3.072758 -0.747818 2.801138
P 2.652661 -0.427736 0.809494
P -3.036267 0.970561 0.657897
O 3.529344 -1.334123 -0.390445
O 2.869499 1.245637 0.410724
O -3.273262 1.825861 -0.836589
O -3.896396 2.021279 1.711159
O -3.399372 -0.584743 0.566916
C -0.419767 -0.487907 1.512804
C 4.895226 -1.848147 -0.057987
C 2.391218 1.828648 -0.879519
C -3.125503 1.081859 -2.126711
C -5.324030 2.373155 1.406660
C 5.297824 -2.746212 -1.223336
C 3.374953 1.583957 -2.026149
C -1.681894 1.119928 -2.632107
C -6.271837 1.199909 1.667620
H -1.330172 -1.111696 1.520271
H 0.175362 -0.645705 2.428136
H 5.582244 -0.989102 0.060313
H 4.843393 -2.402266 0.897892
H 1.383085 1.429730 -1.104077
H 2.302687 2.899837 -0.633440
H -3.488431 0.045726 -1.990861
H -3.808188 1.622991 -2.803365
H -5.506641 3.211186 2.098882
H -5.384228 2.737902 0.365243
H 6.304742 -3.164164 -1.038140
H 4.586289 -3.581382 -1.335177
H 5.324867 -2.177889 -2.168554
H 3.032289 2.128533 -2.926478
H 4.380340 1.955965 -1.762965
H 3.446637 0.510434 -2.269432
H -1.634827 0.681584 -3.646869
H -1.317828 2.160413 -2.686615
H -1.006703 0.538752 -1.979210
H -7.317497 1.528763 1.517829
H -6.072406 0.357032 0.982628
H -6.166373 0.834967 2.703208


