%chk=000218566.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218566

0 1
S -1.890824 2.135621 0.781803
N -2.276001 -0.380413 0.155203
N 1.284274 -1.434255 0.603659
C -0.340236 0.054919 1.651096
C -1.518082 0.503952 0.833063
C 0.879753 -0.145528 0.789210
C -2.018875 -1.836285 0.102555
C -3.434819 0.090880 -0.640830
C 1.559815 0.949582 0.222726
C 2.696686 0.703609 -0.547990
C 2.395878 -1.653602 -0.147423
C 3.130000 -0.613581 -0.737359
H -0.114320 0.823903 2.433341
H -0.570125 -0.868854 2.233161
H -1.777237 -2.150443 -0.928789
H -2.902208 -2.399811 0.447980
H -1.159220 -2.137337 0.733472
H -4.158795 0.629576 0.004292
H -3.955023 -0.745420 -1.128637
H -3.109898 0.808859 -1.421220
H 1.189636 1.965243 0.380026
H 3.242688 1.532777 -0.999223
H 2.692025 -2.701736 -0.268522
H 4.015408 -0.828854 -1.329493


%chk=000218566-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218566

0 1
S -1.861979 2.238240 0.647563
N -2.322034 -0.392398 0.126567
N 1.248152 -1.434388 0.495219
C -0.370663 0.056458 1.613073
C -1.556129 0.544332 0.767986
C 0.895546 -0.141354 0.783306
C -2.040920 -1.848401 0.120601
C -3.511251 0.038860 -0.639373
C 1.655959 0.968421 0.334287
C 2.822508 0.736312 -0.425150
C 2.380353 -1.643508 -0.240082
C 3.198799 -0.596187 -0.717004
H -0.196780 0.834267 2.372295
H -0.598081 -0.889993 2.133054
H -2.183116 -2.235351 -0.904458
H -2.738168 -2.383736 0.794716
H -1.001050 -2.059719 0.411980
H -4.091588 0.770868 -0.052759
H -4.129310 -0.845029 -0.866711
H -3.211181 0.538246 -1.579402
H 1.315569 1.981169 0.572063
H 3.427452 1.576765 -0.782067
H 2.629701 -2.691067 -0.445170
H 4.098712 -0.820004 -1.298435


