%chk=000203350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203350

0 1
S -2.731264 1.242693 -0.625218
O 0.911243 -0.068203 -0.923530
O 1.301296 0.150292 1.288153
N 2.838581 -3.248910 -0.874662
C 2.638199 -1.776781 -0.684087
C -0.392312 2.537024 -0.840713
C 1.135654 -1.510853 -0.836937
C 0.636174 2.091051 0.009995
C -1.251432 1.605608 -1.625283
C 0.969972 0.663987 0.241898
C -0.628233 3.922633 -0.947251
C 1.399912 3.019809 0.743582
C 4.170973 -3.529620 -1.486840
C 2.699560 -3.975301 0.422952
C 0.138786 4.835130 -0.226827
C 1.158980 4.385325 0.622383
C -2.366722 -0.338728 0.067228
C -1.890624 -0.412338 1.376899
C -2.613957 -1.489232 -0.685136
C -1.653616 -1.670153 1.943988
C -2.373991 -2.741648 -0.110583
C -1.894128 -2.830841 1.201481
H 3.190236 -1.200768 -1.457518
H 2.992431 -1.394384 0.299102
H 0.536458 -1.914777 -0.002431
H 0.736382 -1.854402 -1.808216
H -1.599202 2.053311 -2.578470
H -0.720286 0.670170 -1.913301
H -1.427471 4.282961 -1.594711
H 2.181474 2.655725 1.416030
H 4.268871 -4.615889 -1.645772
H 5.034365 -3.189396 -0.897004
H 4.216169 -3.054677 -2.480268
H 1.711713 -3.755602 0.858925
H 3.464454 -3.731265 1.174987
H 2.737038 -5.058945 0.228325
H -0.056354 5.903899 -0.320866
H 1.754698 5.099532 1.187664
H -1.696086 0.493195 1.955121
H -2.993334 -1.417837 -1.704623
H -1.273626 -1.740134 2.962670
H -2.562828 -3.647679 -0.683973
H -1.709555 -3.807881 1.645936


%chk=000203350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203350

0 1
S -2.855698 1.234160 -1.369181
O 0.877253 -0.298967 -0.839601
O 1.501053 0.005483 1.377700
N 3.127581 -3.344882 -0.955194
C 2.754669 -1.915455 -1.056714
C -0.292827 2.428454 -0.841614
C 1.261372 -1.738113 -0.724681
C 0.594997 1.905763 0.154124
C -1.025384 1.604183 -1.874567
C 1.018587 0.474440 0.314687
C -0.551080 3.827314 -0.831509
C 1.161447 2.786068 1.120804
C 4.219765 -3.733811 -1.869118
C 3.385818 -3.780582 0.433933
C 0.030749 4.692165 0.114524
C 0.891955 4.165464 1.106290
C -2.616749 -0.195760 -0.224817
C -2.353486 0.022954 1.148307
C -2.742317 -1.514379 -0.724869
C -2.198574 -1.081878 2.018053
C -2.597314 -2.615567 0.150558
C -2.320591 -2.400641 1.521783
H 2.927229 -1.575553 -2.093893
H 3.363313 -1.264307 -0.384729
H 1.023657 -2.086009 0.293994
H 0.630963 -2.256679 -1.462259
H -1.152805 2.166626 -2.814538
H -0.553431 0.636480 -2.073057
H -1.240104 4.233172 -1.581758
H 1.818684 2.351404 1.880664
H 4.367723 -4.828032 -1.821158
H 5.198910 -3.246512 -1.630031
H 3.950433 -3.473316 -2.907909
H 2.534607 -3.519380 1.085017
H 4.304496 -3.315370 0.872246
H 3.508973 -4.878185 0.460399
H -0.188248 5.765268 0.084250
H 1.347186 4.822918 1.854383
H -2.275636 1.046063 1.529406
H -2.957817 -1.669468 -1.787243
H -1.983071 -0.909630 3.078054
H -2.701865 -3.635376 -0.236718
H -2.205824 -3.254425 2.199079


