%chk=000240619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240619

0 1
S 0.787818 -1.268960 -0.024684
O 0.372010 1.344555 -0.002677
N 2.966515 0.513483 0.015510
N 3.439361 -1.695728 0.302441
C -1.597126 -0.042601 0.036420
C -2.446254 0.720371 -0.784843
C -2.123988 -1.058127 0.848088
C 2.453109 -0.784404 0.111867
C -0.153627 0.263233 0.024331
C -3.815444 0.451895 -0.805239
C -3.497996 -1.316403 0.824541
C -4.341039 -0.567495 -0.002247
C 4.353076 0.400970 0.162261
C 4.623876 -0.964123 0.332108
H -2.030474 1.520287 -1.400932
H -1.477571 -1.642062 1.507935
H -4.475326 1.037947 -1.444367
H -3.910727 -2.105056 1.453576
H 2.431892 1.367550 -0.101131
H -5.411414 -0.775686 -0.019997
H 5.018060 1.242429 0.137867
H 5.575767 -1.447474 0.470070


%chk=000240619-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240619

0 1
S 0.870071 -1.327693 0.733493
O 0.402922 1.040777 -0.600093
N 2.976807 0.398495 -0.157003
N 3.623405 -1.485712 0.932447
C -1.606391 -0.175153 -0.004459
C -2.427378 0.840305 -0.570820
C -2.212931 -1.320798 0.578873
C 2.577746 -0.766089 0.485137
C -0.134003 0.031657 -0.061772
C -3.829586 0.710353 -0.552017
C -3.616562 -1.445456 0.594512
C -4.428304 -0.432286 0.030402
C 4.373301 0.424622 -0.114996
C 4.754137 -0.742441 0.556801
H -1.945146 1.716027 -1.016431
H -1.599547 -2.115034 1.018037
H -4.455612 1.495459 -0.988974
H -4.078140 -2.330373 1.044615
H 2.308132 1.069120 -0.556545
H -5.518996 -0.533552 0.044747
H 4.951346 1.235542 -0.548499
H 5.755225 -1.093171 0.793444