%chk=000297880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297880

0 1
S -0.650681 -1.505118 0.551534
O -0.473081 -2.105313 -0.787362
N 0.124182 0.036512 0.698295
C -0.629348 1.322243 0.651988
C -2.448620 -1.078225 0.692374
C -0.951965 1.804323 -0.783411
C -3.118291 -0.965010 -0.679553
C -2.315698 1.398873 -1.352179
C -2.421598 -0.083248 -1.723652
C -1.853702 1.199913 1.521904
C -2.645491 0.124538 1.544541
C 1.522211 0.102166 0.371023
C 2.356099 0.915280 1.168328
C 2.076774 -0.644383 -0.684516
C 3.724821 0.969416 0.907048
C 3.450886 -0.584641 -0.924434
C 4.278657 0.221199 -0.137241
H 0.045650 2.103810 1.110855
H -2.887179 -1.970572 1.210414
H -0.148903 1.457894 -1.467386
H -0.885645 2.910956 -0.792621
H -4.159408 -0.608532 -0.535886
H -3.202416 -1.988439 -1.109692
H -2.502463 2.007946 -2.260834
H -3.122415 1.676073 -0.646354
H -2.985957 -0.176971 -2.674480
H -1.417067 -0.499904 -1.960799
H -2.050578 2.066687 2.151101
H -3.515687 0.081294 2.203205
H 1.935037 1.483724 1.994359
H 1.444416 -1.276682 -1.319021
H 4.366685 1.595661 1.525178
H 3.877257 -1.170323 -1.738723
H 5.346520 0.265454 -0.334201


%chk=000297880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297880

0 1
S -0.577074 -1.637727 0.507606
O -0.568504 -2.419098 -0.955476
N 0.125917 0.097811 0.313913
C -0.651761 1.341136 0.586534
C -2.488268 -1.090134 0.692936
C -1.164230 2.042374 -0.722335
C -3.086294 -0.986754 -0.728757
C -2.475218 1.512816 -1.347789
C -2.471762 0.013054 -1.741790
C -1.775715 1.166531 1.587865
C -2.591243 0.082881 1.625986
C 1.552637 0.120686 0.211943
C 2.350896 1.054044 0.938801
C 2.213543 -0.827724 -0.625059
C 3.756483 1.042434 0.819767
C 3.621563 -0.847428 -0.709146
C 4.406182 0.090122 0.001133
H 0.070425 2.048338 1.033066
H -2.896272 -1.997137 1.177761
H -0.339867 1.977472 -1.458359
H -1.300358 3.118788 -0.486909
H -4.165261 -0.763484 -0.592739
H -3.015282 -1.994408 -1.180809
H -2.656075 2.119032 -2.257792
H -3.326288 1.721621 -0.669826
H -3.063757 -0.109873 -2.670164
H -1.447368 -0.318523 -1.989955
H -1.946937 1.997443 2.283345
H -3.381432 0.027561 2.386501
H 1.887830 1.776541 1.618949
H 1.616826 -1.534264 -1.210933
H 4.346572 1.770841 1.388350
H 4.104973 -1.589372 -1.355139
H 5.498117 0.081000 -0.081675


