%chk=000206753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206753

1 1
S -1.077719 2.359495 0.000411
N -0.550111 -0.194772 0.000163
N 1.409244 1.278457 0.000289
C 0.286011 -1.338295 0.000038
C -1.996736 -0.076844 0.000190
C 0.080321 1.081781 0.000279
C 1.652518 -1.121004 0.000052
C 2.224418 0.189066 0.000172
C -2.383236 1.226242 0.000324
C -0.289924 -2.698954 -0.000068
C -2.888966 -1.249476 0.000108
C 3.683106 0.407097 0.000189
H 2.334362 -1.983004 -0.000029
H -3.413974 1.581821 0.000366
H -0.911328 -2.906715 0.891178
H -0.911990 -2.906348 -0.890933
H 0.490448 -3.486428 -0.000518
H -2.768335 -1.886597 -0.893693
H -3.955619 -0.945059 -0.000185
H -2.768760 -1.886354 0.894142
H 4.173644 -0.038398 0.886409
H 4.173748 -0.038779 -0.885775
H 3.961978 1.481465 -0.000009


%chk=000206753-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206753

1 1
S -1.069523 2.418063 0.000417
N -0.547429 -0.196234 0.000153
N 1.414022 1.274984 0.000261
C 0.285998 -1.339102 0.000053
C -1.986258 -0.099734 0.000189
C 0.097735 1.069897 0.000263
C 1.667338 -1.120630 0.000058
C 2.241029 0.189988 0.000157
C -2.391425 1.213700 0.000332
C -0.271517 -2.737805 -0.000032
C -2.950412 -1.257366 0.000087
C 3.721585 0.422874 0.000173
H 2.325290 -1.992301 -0.000016
H -3.423444 1.557872 0.000385
H -0.884788 -2.945119 0.892799
H -0.884975 -2.944958 -0.892768
H 0.564020 -3.453398 -0.000184
H -2.854836 -1.890867 -0.896897
H -3.974005 -0.850331 0.000147
H -2.854799 -1.891054 0.896937
H 4.194115 -0.039742 0.887100
H 4.194224 -0.040150 -0.886476
H 3.941155 1.499811 -0.000037


