%chk=000296475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296475

0 1
S -3.028827 0.704729 0.435303
S -2.070876 3.392124 0.309629
O -3.887079 -3.383184 0.440454
O -3.176784 -2.478750 -1.514540
O 0.037849 -0.385870 1.624977
N -0.977375 -1.375928 -0.219009
N 0.934295 -0.006546 -0.495283
C -2.096017 -1.867218 0.627257
C -2.822733 -0.792433 1.438852
C -3.080675 -2.570514 -0.315978
C 2.051208 0.818750 -0.136208
C -0.000653 -0.550300 0.414815
C 2.832919 1.380768 -1.182579
C 2.366588 1.091463 1.204120
C 3.910894 2.205794 -0.842261
C 2.535509 1.116803 -2.624165
C -2.133141 1.958975 1.392864
C 3.446621 1.920845 1.512126
C 4.219821 2.479826 0.493578
C -4.920904 -4.121521 -0.268831
C -0.518526 3.178808 -0.581863
H -1.666836 -2.632348 1.342036
H -2.238054 -0.567753 2.358424
H -3.815191 -1.150757 1.777906
H -1.276905 -1.116745 -1.172627
H 0.894491 -0.303564 -1.473344
H 1.773854 0.651325 2.014535
H 4.521485 2.643389 -1.632069
H 3.233377 1.642061 -3.292808
H 1.528120 1.457447 -2.902075
H 2.623285 0.048767 -2.869716
H -2.690946 2.233302 2.308948
H -1.132507 1.601914 1.712001
H 3.683446 2.126645 2.555711
H 5.061823 3.124957 0.735013
H -5.316774 -4.781235 0.510904
H -4.477884 -4.683700 -1.097473
H -5.675265 -3.417639 -0.634107
H -0.357874 4.078456 -1.191297
H -0.544168 2.310332 -1.248696
H 0.340509 3.070727 0.093179


%chk=000296475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296475

0 1
S -3.782758 0.605279 1.185687
S -3.009072 3.207700 -0.373216
O -3.776091 -2.945234 0.401127
O -2.734512 -1.957882 -1.432661
O 0.575642 -0.727238 1.942585
N -0.864923 -0.783214 0.114449
N 1.204522 0.273574 -0.117445
C -1.869871 -1.552688 0.847053
C -2.645580 -0.725731 1.907984
C -2.815795 -2.155627 -0.195974
C 2.506356 0.776832 0.169998
C 0.338350 -0.433861 0.728882
C 3.157142 1.526177 -0.862265
C 3.151627 0.557965 1.415284
C 4.451863 2.033127 -0.608978
C 2.476676 1.780622 -2.198309
C -2.601157 2.095050 1.071968
C 4.443583 1.080366 1.633817
C 5.103180 1.818610 0.626820
C -4.790078 -3.540141 -0.509308
C -2.513618 2.075253 -1.790910
H -1.372963 -2.379088 1.398126
H -1.924023 -0.257794 2.596118
H -3.311519 -1.390776 2.480724
H -1.033844 -0.686846 -0.892182
H 0.867493 0.459798 -1.063525
H 2.632656 -0.010609 2.188826
H 4.954303 2.608357 -1.396021
H 3.124174 2.385170 -2.854268
H 1.524998 2.339992 -2.083706
H 2.255646 0.841090 -2.745967
H -2.715573 2.720186 1.969660
H -1.573102 1.713358 0.993168
H 4.932742 0.905881 2.598650
H 6.106356 2.222960 0.798286
H -5.452501 -4.115049 0.151427
H -4.296762 -4.191689 -1.249167
H -5.339648 -2.738965 -1.029915
H -2.890307 2.545449 -2.712114
H -2.988169 1.090255 -1.652736
H -1.415344 1.981583 -1.844269


