%chk=000115417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115417

0 1
S -0.105969 -1.339995 1.341603
O -1.214218 -0.276254 -1.344213
N 3.026935 0.128728 -0.843387
C 1.551948 -0.598328 0.984017
C 1.791801 -0.667777 -0.528917
C 2.533231 -1.426892 1.788619
C -1.218321 -0.008221 1.087227
C 2.695364 1.576215 -1.008292
C 3.686859 -0.390995 -2.078561
C -1.696772 0.323490 -0.186587
C -1.666293 0.714850 2.196717
C -2.609291 1.375884 -0.367846
C -2.577985 1.761218 2.027531
C -3.041550 2.093212 0.747701
C -1.706664 -1.619560 -1.594552
H 1.551808 0.459785 1.334256
H 0.892216 -0.310550 -1.087407
H 1.939843 -1.724280 -0.839731
H 3.562714 -1.099264 1.563091
H 2.486725 -2.496987 1.551002
H 2.381919 -1.319620 2.869508
H 2.227941 1.947602 -0.082336
H 2.019350 1.803389 -1.846049
H 3.629090 2.142287 -1.150927
H 4.602208 0.192357 -2.267620
H 3.065309 -0.358992 -2.985117
H 3.999384 -1.433047 -1.905007
H -1.303395 0.463542 3.195795
H -2.954937 1.617904 -1.370445
H -2.926615 2.321621 2.892768
H -3.747184 2.914562 0.622554
H -1.363380 -2.308490 -0.815499
H -1.244338 -1.852599 -2.560415
H -2.796832 -1.605393 -1.667585


%chk=000115417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115417

0 1
S -0.137988 -1.510438 1.291458
O -1.498352 -0.510305 -1.442693
N 3.073083 0.204431 -0.820431
C 1.574576 -0.676290 0.976127
C 1.861285 -0.611342 -0.541932
C 2.632169 -1.476607 1.749463
C -1.262065 -0.072336 1.001078
C 2.795449 1.655927 -0.824582
C 3.790418 -0.220890 -2.039401
C -1.814075 0.224478 -0.277325
C -1.587765 0.763819 2.097809
C -2.654266 1.352695 -0.441687
C -2.429767 1.886895 1.934281
C -2.958750 2.184507 0.656913
C -2.092771 -1.860857 -1.535643
H 1.468728 0.338704 1.397972
H 0.963550 -0.234727 -1.083950
H 2.042017 -1.642981 -0.899792
H 3.627603 -1.072225 1.491799
H 2.610393 -2.545778 1.464973
H 2.481131 -1.405320 2.840347
H 2.318375 1.958682 0.123627
H 2.120410 1.968190 -1.661124
H 3.743678 2.215729 -0.917842
H 4.726883 0.358324 -2.138870
H 3.198801 -0.078710 -2.979234
H 4.058092 -1.289585 -1.961717
H -1.168879 0.521684 3.080422
H -3.048001 1.558743 -1.442313
H -2.666881 2.521652 2.794726
H -3.608464 3.055709 0.517323
H -1.741925 -2.504735 -0.709262
H -1.747626 -2.264280 -2.499968
H -3.198166 -1.793360 -1.528654


