%chk=000195150.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195150

0 1
S 0.803069 -0.063427 -1.967526
O -3.632561 2.259522 1.197700
O -0.389668 -0.180812 2.192901
O 0.080113 1.190406 -1.527002
O 1.287057 -0.046157 -3.339394
O -0.105244 -1.211134 -1.632148
N -3.065626 -0.661834 -0.502312
N 1.018859 1.066703 0.873258
C -2.568383 0.766483 -0.378643
C -2.570634 1.312779 1.061216
C -4.509473 -0.741244 -0.050832
C -2.975572 -1.086699 -1.951289
C -2.219635 -1.600032 0.321786
C -1.222516 1.941407 1.436483
C -0.182063 0.834049 1.536248
C 1.917325 -0.085686 0.574177
C 2.239869 -0.186395 -0.911684
H -1.501139 0.835069 -0.839710
H -3.163138 1.433978 -1.036911
H -2.852972 0.536864 1.819762
H -4.624149 -0.393982 0.993465
H -4.894472 -1.771919 -0.107070
H -5.157619 -0.098397 -0.671001
H -3.427159 -0.355935 -2.633662
H -1.876891 -1.191718 -2.243022
H -3.427091 -2.072950 -2.120978
H -1.167935 -1.637605 -0.104514
H -2.601075 -2.627885 0.306212
H -2.101395 -1.270035 1.371599
H -1.305686 2.455270 2.418177
H -0.930400 2.724620 0.706530
H -3.429100 3.105287 0.748091
H 1.030808 1.815664 0.153756
H 1.452337 -1.033087 0.945959
H 2.855046 0.059139 1.160202
H 2.767341 -1.140777 -1.110558
H 2.976373 0.587470 -1.206466


%chk=000195150-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195150

0 1
S 1.022604 -0.040450 -2.129405
O -3.731169 2.018504 1.300520
O -0.120352 0.140899 2.589223
O 0.406505 1.512268 -1.933374
O 1.648000 -0.371191 -3.590703
O -0.074709 -1.158639 -1.545647
N -3.152782 -0.712874 -0.493257
N 0.942810 1.091156 0.735142
C -2.418522 0.636632 -0.306135
C -2.500086 1.221378 1.119827
C -4.599816 -0.634186 -0.033491
C -3.097288 -1.061845 -1.984046
C -2.402208 -1.811499 0.267257
C -1.216410 2.019659 1.461438
C -0.062306 1.017789 1.663939
C 1.922271 -0.004972 0.593164
C 2.480491 -0.051949 -0.831538
H -1.382266 0.438086 -0.632028
H -2.868806 1.341621 -1.027881
H -2.587932 0.433201 1.886925
H -4.638831 -0.351925 1.027133
H -5.069097 -1.618716 -0.190543
H -5.120985 0.136804 -0.620364
H -3.606226 -0.267992 -2.553131
H -2.028096 -1.132117 -2.261722
H -3.607650 -2.026450 -2.137485
H -1.378997 -1.851103 -0.146210
H -2.932168 -2.763819 0.105374
H -2.374731 -1.571112 1.340034
H -1.394380 2.551814 2.412427
H -0.984802 2.759817 0.671759
H -3.613828 2.900687 0.863647
H 0.778736 1.647914 -0.135816
H 1.425781 -0.958913 0.850840
H 2.763036 0.125402 1.303141
H 3.041658 -0.976272 -1.033971
H 3.059153 0.839392 -1.122242


