%chk=000212001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212001

0 1
S 0.945843 2.247716 0.617394
O -3.615956 0.773999 -0.316792
N -2.285818 -1.137431 -0.201737
N -4.067774 -0.733520 1.355890
C -0.280302 0.289123 -0.534437
C 1.080221 -0.185857 -0.289066
C -1.334149 -0.555310 -1.188236
C 1.880652 0.794227 0.344992
C -0.493052 1.557915 -0.104901
C 1.648471 -1.433883 -0.594394
C 3.214752 0.565528 0.677280
C 2.980379 -1.669210 -0.264803
C 3.759447 -0.679021 0.366017
C -3.334811 -0.278292 0.236074
H -1.912225 0.056815 -1.928321
H -0.887333 -1.402100 -1.758044
H -1.413992 2.126684 -0.163125
H 1.054262 -2.202256 -1.083735
H 3.812703 1.333909 1.163695
H -1.828123 -1.715634 0.506789
H 3.433771 -2.632187 -0.496962
H 4.798950 -0.893067 0.610439
H -4.084458 -1.711999 1.596129
H -4.943359 -0.253550 1.533554


%chk=000212001-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212001

0 1
S 1.114187 2.463236 0.445331
O -3.783292 0.717545 -0.225212
N -2.239144 -1.044233 -0.191177
N -4.068663 -1.027378 1.296628
C -0.248892 0.418235 -0.620531
C 1.072687 -0.117785 -0.304670
C -1.385026 -0.402426 -1.209662
C 1.943439 0.856037 0.283073
C -0.375148 1.750701 -0.288790
C 1.571982 -1.434799 -0.506997
C 3.266105 0.550991 0.662030
C 2.890922 -1.749598 -0.130319
C 3.734911 -0.763746 0.452023
C -3.383003 -0.383767 0.266196
H -2.049653 0.247754 -1.800997
H -0.987492 -1.185227 -1.881291
H -1.259076 2.377832 -0.400893
H 0.934052 -2.200491 -0.964390
H 3.917318 1.309884 1.107699
H -1.846116 -1.818033 0.346546
H 3.275871 -2.762864 -0.289237
H 4.759385 -1.024395 0.738824
H -3.821637 -1.947164 1.654588
H -4.905618 -0.567712 1.644927


