%chk=000270687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270687

0 1
S 4.555534 -0.732550 -1.123297
O 5.814954 -1.412318 -0.904840
O 3.971098 -0.643618 -2.439163
N 3.478731 -1.626244 -0.096113
N -2.147271 -1.314261 0.263191
N -2.840047 -0.690315 -0.579986
C 4.596760 0.823272 -0.399348
C 2.069037 -1.551409 -0.084054
C 5.604275 1.135169 0.522300
C 3.638207 1.789303 -0.732009
C 4.683711 3.363316 0.791064
C 5.650027 2.395381 1.116735
C 3.677089 3.050563 -0.141265
C -7.059614 -0.434929 -0.217471
C -8.557364 -0.314014 -0.128356
C 1.372035 -2.133573 1.003196
C 1.352549 -0.899724 -1.110545
C -0.726034 -1.354638 0.063939
C -0.011388 -2.033927 1.073992
C -0.031609 -0.801291 -1.030770
C -6.364346 0.160738 -1.282623
C -6.346876 -1.136825 0.768146
C 4.717758 4.714833 1.419227
C -4.267698 -0.652242 -0.378452
C -4.977210 0.055877 -1.368779
C -4.959568 -1.248514 0.692390
C -8.958848 0.929759 0.664073
H 3.889549 -2.326027 0.538157
H 6.367754 0.388536 0.773081
H 2.855346 1.559165 -1.463932
H 6.437318 2.628824 1.831538
H 2.927194 3.795886 -0.402353
H -9.003927 -0.274712 -1.143436
H -8.991458 -1.218955 0.344960
H 1.915330 -2.656466 1.786263
H 1.864266 -0.517811 -2.000170
H -0.553708 -2.477956 1.912179
H -0.589938 -0.299119 -1.825985
H -6.911127 0.710399 -2.047048
H -6.879555 -1.596483 1.599065
H 4.851086 5.504112 0.662882
H 5.530204 4.832021 2.149296
H 3.777729 4.936238 1.948155
H -4.436511 0.516503 -2.197018
H -4.407177 -1.796219 1.458146
H -8.562408 0.898665 1.686339
H -10.048264 1.022477 0.732040
H -8.574897 1.844303 0.195761


%chk=000270687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270687

0 1
S 4.774380 -0.723925 -1.375787
O 6.279115 -1.218949 -1.011280
O 4.255670 -0.491930 -2.893432
N 3.657620 -2.150478 -0.633781
N -1.870933 -1.225722 0.247534
N -2.606838 -0.861356 -0.777416
C 4.407855 0.854177 -0.402638
C 2.290715 -1.871395 -0.417900
C 5.197057 1.133987 0.724017
C 3.367041 1.686698 -0.848720
C 3.868219 3.189550 1.043938
C 4.915945 2.318059 1.442357
C 3.105040 2.858791 -0.108905
C -6.784371 -0.215572 -0.117060
C -8.263228 0.064594 0.098334
C 1.712485 -1.952890 0.883598
C 1.457887 -1.560438 -1.539517
C -0.491831 -1.426220 -0.056329
C 0.332248 -1.757810 1.053248
C 0.089907 -1.327055 -1.357874
C -6.173190 -0.007798 -1.380901
C -5.968160 -0.660403 0.963485
C 3.570880 4.457994 1.821773
C -3.990294 -0.668180 -0.476233
C -4.793842 -0.231506 -1.562505
C -4.592464 -0.885452 0.797996
C -8.507325 1.437111 0.784819
H 4.187941 -2.457194 0.201145
H 6.018938 0.468397 1.007857
H 2.801218 1.436076 -1.751142
H 5.522640 2.568520 2.319694
H 2.299190 3.526735 -0.434257
H -8.795676 0.045299 -0.870969
H -8.709175 -0.731298 0.726050
H 2.347891 -2.180940 1.748261
H 1.910764 -1.527202 -2.535683
H -0.135895 -1.833610 2.040000
H -0.561875 -1.089224 -2.203856
H -6.785733 0.327437 -2.226305
H -6.431655 -0.835185 1.942780
H 3.682832 5.352876 1.181824
H 4.246084 4.574282 2.685940
H 2.531933 4.458717 2.200465
H -4.311829 -0.079194 -2.533975
H -3.963012 -1.231227 1.623585
H -8.009221 1.479881 1.770253
H -9.587969 1.611906 0.937297
H -8.106285 2.262267 0.169318


