%chk=000187636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187636

0 1
S 1.085193 -1.576750 0.346666
O -0.336175 1.264625 -3.332245
O 1.972288 -2.502504 -0.343088
O 0.153398 -2.086981 1.332231
N 0.198353 -0.759316 -0.876514
C 0.864518 0.759306 -2.658433
C 0.800091 -0.698972 -2.230118
C -1.292923 -0.654604 -0.861034
C 0.892479 1.126416 -4.115123
C -1.976492 -2.029591 -0.723304
C -1.684921 0.342670 0.218819
C -3.486323 -1.929422 -0.974314
C 2.063488 -0.325191 1.036050
C -1.759271 1.701544 -0.128726
C -1.973993 -0.050579 1.532224
C -4.166903 -3.289864 -0.844392
C 3.454059 -0.393103 0.886238
C 1.486705 0.730321 1.745882
C -2.131178 2.651228 0.825462
C -2.349312 0.902016 2.483981
C -2.430782 2.252811 2.132767
C 4.266875 0.597336 1.442237
C 2.299630 1.724234 2.302979
C 3.687568 1.656869 2.151189
H 1.257100 1.453629 -1.906895
H 0.210407 -1.296522 -2.965526
H 1.826412 -1.141653 -2.235026
H -1.605834 -0.215940 -1.857840
H 0.844253 0.364927 -4.889637
H 1.322065 2.070529 -4.442201
H -1.524400 -2.745654 -1.435873
H -1.788981 -2.463638 0.285217
H -3.937932 -1.214690 -0.256152
H -3.678298 -1.509360 -1.981152
H -1.524061 2.013884 -1.149134
H -1.887265 -1.106521 1.815588
H -3.771858 -4.011713 -1.568066
H -4.021804 -3.718551 0.154586
H -5.246399 -3.210137 -1.013593
H 3.906567 -1.227346 0.335692
H 0.399275 0.790859 1.873222
H -2.192520 3.702015 0.549066
H -2.579876 0.587205 3.500335
H -2.729137 2.992005 2.872928
H 5.348211 0.542956 1.328086
H 1.847672 2.546683 2.855648
H 4.321532 2.429834 2.587094


%chk=000187636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187636

0 1
S 1.244472 -1.491628 0.320045
O -0.527621 0.810994 -3.811624
O 2.416768 -2.320139 -0.473891
O 0.259845 -2.248862 1.378341
N 0.260077 -0.523771 -1.041108
C 0.790358 0.273800 -3.278615
C 0.689707 -0.956841 -2.397988
C -1.238585 -0.478886 -0.831175
C 0.493563 0.202327 -4.744393
C -1.963197 -1.852408 -0.854881
C -1.574765 0.430520 0.356636
C -3.479279 -1.716953 -1.130501
C 2.131085 -0.092856 1.238614
C -1.345102 1.824556 0.221125
C -2.108492 -0.053167 1.577079
C -4.190033 -3.086790 -1.172963
C 3.434948 0.219099 0.821384
C 1.475145 0.536910 2.306573
C -1.636018 2.715366 1.275914
C -2.404248 0.836396 2.636254
C -2.168986 2.222913 2.491223
C 4.118542 1.241608 1.519397
C 2.176722 1.556552 2.990895
C 3.488834 1.909346 2.596420
H 1.452049 1.065216 -2.904515
H -0.003362 -1.690940 -2.857306
H 1.681800 -1.444548 -2.311377
H -1.550520 0.065846 -1.750824
H 0.194807 -0.757305 -5.185337
H 0.974096 0.912148 -5.428101
H -1.519042 -2.476073 -1.657010
H -1.783067 -2.398591 0.087239
H -3.945961 -1.082061 -0.352813
H -3.629879 -1.188628 -2.094349
H -0.932876 2.205163 -0.721108
H -2.280126 -1.124648 1.713267
H -3.764585 -3.732745 -1.964245
H -4.078184 -3.621352 -0.210927
H -5.271118 -2.973734 -1.373765
H 3.901363 -0.339237 0.003457
H 0.462888 0.243867 2.599987
H -1.455058 3.788884 1.150648
H -2.818486 0.445111 3.572446
H -2.404745 2.911988 3.310331
H 5.139325 1.507925 1.225767
H 1.693867 2.071406 3.827787
H 4.024578 2.699523 3.133787


