%chk=000297252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297252

0 1
S 3.160479 -0.111986 -0.890347
O -3.182237 -0.420105 0.402657
O -4.578404 0.533957 -1.231727
N 0.099136 0.391856 -0.500159
N 1.333027 -3.713630 -0.176662
C 0.947615 1.468864 -0.082846
C -1.298209 0.709565 -0.858046
C 0.502901 -0.963600 -0.386705
C 2.366177 1.356276 -0.128204
C 1.872761 -1.344498 -0.472960
C -2.315822 0.790799 0.318047
C 0.396472 2.691142 0.391711
C -0.435571 -2.013142 -0.187116
C 3.194293 2.407135 0.312636
C 2.235782 -2.699200 -0.338629
C 1.227620 3.759675 0.793150
C 2.630871 3.622097 0.765175
C 0.019876 -3.346803 -0.112724
C -4.316932 -0.418569 -0.438236
C -5.132063 -1.676864 -0.243967
H -1.654116 -0.035935 -1.589973
H -1.283858 1.679668 -1.383431
H -2.975541 1.666732 0.187787
H -1.808777 0.827812 1.293958
H -0.687297 2.821521 0.453926
H -1.500342 -1.800248 -0.065922
H 4.281553 2.279513 0.280262
H 3.291046 -2.991055 -0.382903
H 0.770496 4.692626 1.139479
H 3.280697 4.441695 1.086963
H -0.698330 -4.163662 0.020236
H -6.159581 -1.402585 0.051200
H -4.689635 -2.329782 0.521640
H -5.203789 -2.219966 -1.202372


%chk=000297252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297252

0 1
S 3.325348 0.171637 -0.678510
O -3.563009 -0.556799 0.100392
O -3.624723 1.769779 -0.026826
N 0.189108 -0.177135 -0.492016
N 2.514478 -3.756858 0.109035
C 0.689330 1.139612 -0.193715
C -1.251955 -0.321182 -0.783559
C 0.954938 -1.354466 -0.302403
C 2.084450 1.419513 -0.159898
C 2.380969 -1.337860 -0.268801
C -2.126837 -0.468266 0.487999
C -0.204814 2.213989 0.075577
C 0.349907 -2.635931 -0.149455
C 2.564651 2.701670 0.172673
C 3.097392 -2.528055 -0.033672
C 0.280338 3.507459 0.367773
C 1.665604 3.760061 0.431171
C 1.153359 -3.781478 0.030781
C -4.212352 0.666468 -0.122199
C -5.668839 0.458489 -0.462762
H -1.399571 -1.198716 -1.435889
H -1.582974 0.563157 -1.352075
H -1.984620 0.384939 1.171899
H -1.933629 -1.409481 1.023217
H -1.289002 2.070587 0.055949
H -0.733918 -2.765505 -0.174686
H 3.646046 2.872500 0.207793
H 4.191528 -2.502114 0.021954
H -0.439728 4.310759 0.555330
H 2.045711 4.757894 0.671003
H 0.683895 -4.766670 0.128898
H -6.294386 0.895371 0.335741
H -5.906257 -0.609311 -0.569008
H -5.910138 0.995247 -1.395811


