%chk=000118557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118557

0 1
S 2.876793 1.875143 -0.500787
O 2.848401 2.675386 0.986242
O 4.260023 1.972377 -0.899394
O 1.854285 2.538427 -1.295028
O -5.434981 -0.372625 -0.402636
N 0.033821 0.729187 -0.513961
N 4.119598 -2.751758 1.238711
C 1.046345 -0.116496 -0.092660
C 2.389391 0.314672 -0.082008
C 3.412027 -0.579976 0.322888
C -1.366054 0.400530 -0.430959
C 0.748975 -1.460494 0.325336
C 3.112857 -1.873996 0.718774
C 1.749767 -2.307863 0.723017
C -1.969830 0.152914 0.810336
C -2.129486 0.392930 -1.619136
C -3.338836 -0.118669 0.879720
C -3.490356 0.133428 -1.560660
C -4.085471 -0.124103 -0.304764
C -6.169254 -0.620887 0.820972
H 0.255873 1.647951 -0.962545
H 4.451349 -0.233057 0.316876
H -0.285891 -1.804208 0.309379
H 1.517262 -3.323472 1.050100
H -1.373774 0.176719 1.724390
H -1.649001 0.593764 -2.578358
H -3.800275 -0.311288 1.843291
H -4.109357 0.123742 -2.456696
H 5.063096 -2.487139 0.976888
H 3.966167 -3.725582 1.003365
H 3.460947 3.418415 1.079117
H -6.119946 0.251691 1.478638
H -5.798684 -1.525869 1.310313
H -7.189382 -0.768893 0.441440


%chk=000118557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118557

0 1
S 2.876197 1.862323 -0.604842
O 2.357320 2.747534 0.954105
O 4.473262 2.027406 -0.789012
O 1.879148 2.384610 -1.791398
O -5.573452 0.045175 -0.283357
N 0.060846 0.473586 -0.715093
N 4.316292 -2.745636 1.325294
C 1.081202 -0.308522 -0.167903
C 2.432097 0.142720 -0.079641
C 3.514335 -0.622776 0.396328
C -1.339661 0.301681 -0.552363
C 0.887142 -1.654542 0.279315
C 3.280081 -1.945237 0.840619
C 1.939231 -2.436350 0.770116
C -1.924842 -0.221695 0.628492
C -2.198836 0.739656 -1.600560
C -3.327450 -0.332428 0.754577
C -3.593970 0.650666 -1.472723
C -4.168760 0.103117 -0.298086
C -6.210798 -0.495238 0.917864
H 0.370187 1.269890 -1.294459
H 4.518296 -0.184246 0.403305
H -0.112750 -2.089169 0.202292
H 1.728975 -3.464651 1.088802
H -1.289856 -0.510329 1.471773
H -1.762212 1.148138 -2.519169
H -3.744263 -0.737698 1.681478
H -4.257945 0.988717 -2.273882
H 5.267495 -2.394369 1.377235
H 4.140013 -3.700468 1.621489
H 2.412715 3.730066 0.764833
H -5.973013 0.115195 1.811278
H -5.909503 -1.546333 1.097339
H -7.291126 -0.449893 0.716153


