%chk=000097278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000097278

0 1
S -2.745840 0.025933 0.675568
O -3.301991 -1.261556 1.047468
O -2.949830 1.199305 1.501297
O 3.886649 1.407281 -0.100162
N -3.392254 0.405858 -0.880970
N 3.093735 -0.759769 -0.176791
C -1.043263 -0.181196 0.426959
C -0.181177 0.918934 0.488113
C -0.521478 -1.458766 0.197951
C 1.706580 -0.521341 0.035625
C 1.187686 0.763439 0.284677
C 0.843265 -1.642358 -0.004743
C -3.019014 1.733226 -1.419367
C -3.338582 -0.688848 -1.875780
C 4.120905 0.225864 -0.222517
C 5.490110 -0.349690 -0.439133
H -0.580406 1.916538 0.709127
H -1.191011 -2.328158 0.187338
H 1.853752 1.633053 0.328425
H 1.232418 -2.641361 -0.181104
H -3.181335 2.502585 -0.638268
H -3.689604 1.993823 -2.257709
H -1.981333 1.800544 -1.782429
H -3.739487 -1.615390 -1.419053
H -2.332206 -0.888955 -2.275957
H -4.000912 -0.448304 -2.726577
H 3.362148 -1.739989 -0.299518
H 5.797994 -1.026774 0.369861
H 6.236366 0.464618 -0.469382
H 5.578815 -0.892748 -1.389851


%chk=000097278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097278

0 1
S -2.811914 0.023866 0.688458
O -3.385078 -1.445085 1.089819
O -3.022818 1.354437 1.598587
O 4.073322 1.451422 -0.013296
N -3.636853 0.433263 -0.974093
N 3.184657 -0.718349 -0.159340
C -0.952416 -0.177190 0.413271
C -0.126277 0.957041 0.488835
C -0.451667 -1.468486 0.169771
C 1.798617 -0.485601 0.035711
C 1.262249 0.807917 0.295021
C 0.933998 -1.616543 -0.019620
C -3.189523 1.754260 -1.471720
C -3.488036 -0.692333 -1.924087
C 4.238826 0.209664 -0.173314
C 5.609167 -0.426385 -0.398706
H -0.554701 1.935961 0.727787
H -1.126610 -2.330322 0.163949
H 1.934788 1.665155 0.349330
H 1.349156 -2.615730 -0.201851
H -3.225099 2.478217 -0.640779
H -3.917381 2.079337 -2.237281
H -2.173811 1.748251 -1.928430
H -3.737891 -1.632152 -1.404324
H -2.476348 -0.768481 -2.384043
H -4.229572 -0.540838 -2.729458
H 3.449000 -1.696018 -0.305485
H 5.862447 -1.128985 0.416803
H 6.365397 0.370682 -0.423816
H 5.645070 -0.981177 -1.354599


