%chk=000208216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208216

0 1
S -7.861986 1.273868 0.044336
S -8.552547 -0.630645 -0.309506
O 3.523052 -2.449965 0.235739
O 4.107954 2.059726 1.109827
O -7.627505 -1.417686 0.849712
O -9.900830 -0.747391 0.134486
O -8.091469 -1.083927 -1.575985
N 3.512536 -0.190203 0.852250
N -3.852924 0.637045 -0.201724
C 1.065799 0.059905 0.473572
C -0.304071 0.114196 1.160208
C 2.184028 -0.143600 1.507503
C -1.427373 0.307285 0.134135
C -2.800395 0.354407 0.823871
C 4.057570 -1.372583 0.236180
C 4.360614 0.962784 0.686631
C 5.372131 -0.930657 -0.344826
C 5.551661 0.455834 -0.077836
C -5.228772 0.586749 0.385059
C 6.320200 -1.653783 -1.034765
C 6.679798 1.124421 -0.499869
C -6.173150 1.217194 -0.636461
C 7.480448 -0.969413 -1.470950
C 7.655647 0.384355 -1.210361
H 1.243068 0.992676 -0.097947
H 1.087851 -0.761257 -0.271011
H -0.474835 -0.816517 1.736444
H -0.323408 0.940298 1.898632
H 2.190504 0.688271 2.249957
H 2.034638 -1.097637 2.063937
H -1.400689 -0.506839 -0.615691
H -1.268248 1.245798 -0.436357
H -2.821571 1.182093 1.568201
H -2.980807 -0.587790 1.385393
H -3.782725 -0.044153 -0.967270
H -5.239509 1.172127 1.333267
H -5.556548 -0.446499 0.651670
H 6.186898 -2.716614 -1.240681
H 6.821468 2.186716 -0.296691
H -5.877562 2.267925 -0.854274
H -6.155233 0.686688 -1.611387
H 8.243837 -1.523166 -2.019962
H 8.556696 0.894676 -1.554612
H -8.078941 -2.068012 1.413158


%chk=000208216-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208216

0 1
S -7.890940 1.448051 0.265540
S -8.784820 -0.639922 -0.743149
O 3.666569 -2.461443 0.359080
O 4.208939 2.187648 0.875162
O -8.937426 -1.605793 0.842342
O -10.260979 -0.564066 -1.400687
O -7.575079 -1.288658 -1.614507
N 3.639379 -0.121579 0.789272
N -3.868259 0.506367 0.153280
C 1.155021 0.109227 0.534590
C -0.188675 0.155659 1.294141
C 2.353208 -0.052936 1.498091
C -1.394572 0.322241 0.343080
C -2.742646 0.337226 1.089825
C 4.192223 -1.324424 0.260043
C 4.464506 1.010209 0.519428
C 5.478796 -0.921677 -0.395849
C 5.642042 0.477038 -0.240569
C -5.220932 0.613399 0.712164
C 6.431308 -1.699520 -1.070052
C 6.763740 1.144041 -0.754548
C -6.156389 1.177092 -0.373832
C 7.570108 -1.033898 -1.595148
C 7.733753 0.365953 -1.439693
H 1.285994 1.038541 -0.052865
H 1.150338 -0.736581 -0.179756
H -0.309539 -0.775444 1.885824
H -0.174532 0.994060 2.020871
H 2.405750 0.805557 2.191715
H 2.245163 -0.983565 2.084470
H -1.392246 -0.508447 -0.393851
H -1.295808 1.261863 -0.233999
H -2.764629 1.182393 1.806648
H -2.839906 -0.597203 1.696180
H -3.809546 -0.098729 -0.675909
H -5.184042 1.305401 1.575100
H -5.637293 -0.350893 1.085973
H 6.294712 -2.779558 -1.182893
H 6.880183 2.224915 -0.627952
H -5.794198 2.142450 -0.773074
H -6.235546 0.463273 -1.221240
H 8.335189 -1.607977 -2.128631
H 8.622823 0.852034 -1.855384
H -9.606439 -2.335626 0.676774


