%chk=000193138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193138

0 1
O 5.786792 0.892486 0.152903
O 5.668352 -1.060657 1.240607
N -0.668600 0.574604 -0.424361
N 0.798409 -1.132753 -0.646274
N 3.857052 -1.548321 -1.108500
C 2.688549 -0.327064 0.821312
C 1.348456 -0.165109 0.203401
C 3.806130 -0.344034 -0.249093
C -1.896387 1.379255 -0.549468
C 0.450478 0.899289 0.356975
C -3.075634 0.712242 0.121670
C -0.423024 -0.676984 -1.012455
C 5.153555 -0.287204 0.472059
C -3.004753 0.343436 1.472667
C -4.251082 0.482917 -0.606335
C -4.107393 -0.251807 2.090682
C -5.352598 -0.109165 0.018954
C -5.282677 -0.477165 1.366093
H 2.716285 -1.272089 1.412578
H 2.873314 0.485995 1.554242
H 3.706303 0.559943 -0.914420
H -2.098158 1.558371 -1.633953
H -1.731329 2.388213 -0.097962
H 0.538325 1.803064 0.924078
H -1.121957 -1.185703 -1.658657
H -2.087969 0.510643 2.037865
H -4.314307 0.762393 -1.656422
H 3.042779 -1.573716 -1.725824
H 3.823839 -2.399262 -0.547698
H -4.049844 -0.542205 3.139323
H -6.266453 -0.285935 -0.547096
H -6.141049 -0.940585 1.850296
H 6.686498 0.973208 0.566213


%chk=000193138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193138

0 1
O 5.629728 1.055954 0.457657
O 6.053926 -1.225942 0.519446
N -0.651401 0.543274 -0.348431
N 0.851253 -1.147841 -0.421277
N 3.732697 -1.734002 -0.962202
C 2.836216 -0.087418 0.784294
C 1.431093 -0.045967 0.249400
C 3.885174 -0.410600 -0.358202
C -1.901027 1.302042 -0.552693
C 0.507794 1.002955 0.297746
C -3.127707 0.654883 0.087562
C -0.391691 -0.757339 -0.764374
C 5.284188 -0.283981 0.228468
C -3.045647 0.028352 1.356233
C -4.379188 0.719257 -0.571699
C -4.200232 -0.519909 1.956308
C -5.536512 0.174477 0.030112
C -5.449888 -0.446320 1.296871
H 2.931875 -0.874733 1.557193
H 3.082117 0.885343 1.247916
H 3.776010 0.385023 -1.121431
H -2.072193 1.440740 -1.636683
H -1.736717 2.307648 -0.122400
H 0.578028 2.003916 0.715535
H -1.124627 -1.365793 -1.288216
H -2.077675 -0.039544 1.866504
H -4.451077 1.193018 -1.559024
H 2.745781 -2.002875 -1.068869
H 4.323615 -2.448348 -0.525108
H -4.125852 -1.006112 2.935333
H -6.498920 0.227915 -0.490698
H -6.344518 -0.873565 1.763007
H 6.537280 1.091794 0.865123


