%chk=000225587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225587

0 1
S 1.273043 2.092876 -0.332477
O 2.225630 2.933372 0.372977
O 1.033657 2.295707 -1.749173
N -0.231835 2.339046 0.461262
C -1.431068 2.647247 -0.354226
C -2.655350 1.865801 0.164103
C 1.651250 0.443116 -0.024633
C -2.599817 0.409295 -0.206050
C 0.846259 -0.579752 -0.535353
C 2.784673 0.123807 0.735226
C 2.306559 -2.239274 0.465472
C -2.824965 0.009998 -1.533814
C -2.327419 -0.561929 0.769411
C 1.169547 -1.916465 -0.291579
C 3.114410 -1.207206 0.979763
C -2.781885 -1.343324 -1.876466
C -2.289260 -1.915134 0.421636
C 2.669734 -3.662927 0.726353
C -2.515940 -2.309560 -0.900439
H -1.241282 2.390657 -1.426287
H -1.658903 3.737320 -0.333471
H -2.738605 1.986232 1.263756
H -3.577949 2.323179 -0.250648
H -0.230848 2.820840 1.364877
H -0.046599 -0.343217 -1.126550
H 3.415928 0.926196 1.137767
H -3.033345 0.755472 -2.298941
H -2.136572 -0.260721 1.797678
H 0.531390 -2.703259 -0.690361
H 3.997684 -1.449476 1.566985
H -2.958718 -1.646362 -2.907462
H -2.081120 -2.663269 1.184710
H 2.798376 -3.857303 1.801373
H 1.916457 -4.372624 0.359142
H 3.621118 -3.923634 0.237233
H -2.491233 -3.362828 -1.168696


%chk=000225587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225587

0 1
S 1.182120 2.006285 -0.492730
O 2.351694 3.010497 0.047524
O 0.660698 2.048229 -2.038677
N -0.351688 2.246554 0.584752
C -1.531342 2.763640 -0.156977
C -2.809004 1.970718 0.230984
C 1.716584 0.252054 -0.074602
C -2.780596 0.511532 -0.199718
C 0.932288 -0.824225 -0.514965
C 2.907796 0.099751 0.653289
C 2.575872 -2.341816 0.531479
C -2.775380 0.164021 -1.577028
C -2.761774 -0.532845 0.758046
C 1.378357 -2.127338 -0.200019
C 3.330294 -1.213305 0.951254
C -2.756253 -1.188457 -1.984329
C -2.743855 -1.888975 0.356834
C 3.053960 -3.746772 0.850685
C -2.742295 -2.222304 -1.017146
H -1.330069 2.644576 -1.240613
H -1.685065 3.845453 0.028501
H -2.961599 2.042025 1.323414
H -3.662893 2.490914 -0.249968
H -0.016683 2.868973 1.342962
H 0.008231 -0.666335 -1.079153
H 3.481868 0.980436 0.959021
H -2.786061 0.955089 -2.337161
H -2.753688 -0.281063 1.825019
H 0.779437 -2.984589 -0.527104
H 4.258526 -1.362663 1.515219
H -2.757421 -1.435599 -3.052023
H -2.732004 -2.681051 1.114299
H 3.271692 -3.862592 1.928216
H 2.303049 -4.505011 0.571891
H 3.986895 -3.981789 0.304076
H -2.738686 -3.272120 -1.332155


