%chk=000230706.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230706

0 1
S -0.437678 1.369545 0.819304
O 0.705661 0.364771 -0.087968
O -0.236141 2.672057 0.252920
O -0.063714 1.154996 2.193960
O 2.895324 -1.522543 -2.858503
O 0.978596 -0.704186 -2.309412
N 2.172393 -0.872918 -2.113244
C -1.865917 0.620784 0.348824
C -2.252328 0.659457 -1.018003
C -2.692042 -0.061539 1.276644
C -4.260501 -0.613787 -0.501898
C -3.443651 0.050737 -1.426135
C -3.877689 -0.663341 0.848340
C -1.400413 1.331156 -2.030240
C -2.333027 -0.151069 2.718480
C -5.517882 -1.271497 -0.957176
C 2.033831 0.372301 0.072998
C 2.792856 -0.268885 -0.939126
C 2.685530 0.941101 1.190718
C 4.201109 -0.328248 -0.811337
C 4.066293 0.876397 1.281994
C 4.831089 0.242082 0.280723
H -3.730563 0.082160 -2.476126
H -4.509307 -1.182860 1.566118
H -1.843980 1.351129 -3.034670
H -0.424902 0.802270 -2.147528
H -1.154973 2.379010 -1.774675
H -1.347563 -0.630090 2.877806
H -2.241646 0.838805 3.198287
H -3.058700 -0.723424 3.311715
H -6.177478 -1.564605 -0.129085
H -6.105107 -0.620811 -1.622599
H -5.293325 -2.187688 -1.528202
H 2.103532 1.408395 1.992988
H 4.775432 -0.834345 -1.597321
H 4.573377 1.317928 2.143629
H 5.914705 0.201753 0.374100


%chk=000230706-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230706

0 1
S -0.307731 1.367541 0.520664
O 0.826707 -0.231975 -0.116776
O -0.015712 2.628678 -0.455779
O 0.048661 1.558274 2.093754
O 3.388111 0.720146 -3.280596
O 1.592318 -0.577100 -2.742430
N 2.656403 0.080179 -2.424787
C -1.992851 0.556935 0.198648
C -2.341952 0.359263 -1.167451
C -2.802098 0.192416 1.307884
C -4.480498 -0.599530 -0.346402
C -3.611448 -0.222999 -1.398475
C -4.059167 -0.382633 0.984843
C -1.462331 0.709787 -2.349531
C -2.449829 0.374077 2.772808
C -5.826322 -1.230209 -0.647326
C 2.177937 -0.077549 0.075039
C 3.098739 0.091419 -1.014981
C 2.712924 -0.077173 1.398373
C 4.482045 0.249911 -0.784464
C 4.092735 0.079201 1.623864
C 4.981916 0.242821 0.532858
H -3.916801 -0.389246 -2.438147
H -4.719153 -0.667270 1.812240
H -1.968643 0.438278 -3.289545
H -0.499061 0.169672 -2.312167
H -1.224311 1.786777 -2.375068
H -1.537191 -0.181056 3.048850
H -2.250071 1.429555 3.025645
H -3.282183 0.015040 3.399773
H -6.418811 -1.386674 0.269411
H -6.418998 -0.597645 -1.333283
H -5.700713 -2.212391 -1.140492
H 2.012051 -0.190226 2.230238
H 5.142889 0.375851 -1.646581
H 4.477593 0.073681 2.648871
H 6.056044 0.359173 0.706816


