%chk=000208150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208150

0 1
S 2.560265 -2.004883 -0.489323
O -2.781108 0.396900 0.045060
O 1.721296 2.218993 0.493126
N -6.403320 -0.055467 0.018247
C 0.821787 0.101955 -0.013941
C 0.994368 -1.252337 -0.323082
C -5.097892 0.676338 0.058065
C 3.357291 0.584283 0.077978
C -4.005214 -0.385994 -0.135920
C -1.575753 -0.240045 -0.098407
C 1.953851 1.057554 0.208259
C -0.474447 0.614819 0.099735
C 3.721940 -0.728315 -0.223195
C -0.103708 -2.098610 -0.519338
C -1.401267 -1.599233 -0.408214
C 4.380918 1.537786 0.276466
C 5.068365 -1.108788 -0.329831
C -7.438366 0.730282 -0.715186
C -6.874735 -0.384857 1.395914
C 5.719394 1.173802 0.173265
C 6.062855 -0.153376 -0.130600
H -4.916413 1.237953 0.999973
H -5.025339 1.429675 -0.755977
H -4.014256 -0.818501 -1.149439
H -4.035812 -1.179116 0.628127
H -0.635042 1.670952 0.341066
H 0.043096 -3.154026 -0.760781
H -2.250392 -2.259501 -0.562026
H 4.096033 2.569168 0.513742
H 5.339671 -2.138368 -0.565919
H -7.679200 1.708447 -0.274104
H -7.102125 0.887022 -1.753216
H -8.366593 0.137423 -0.765542
H -7.768853 -1.025273 1.319711
H -6.100844 -0.970698 1.916689
H -7.126655 0.484757 2.020716
H 6.501853 1.915175 0.327646
H 7.113050 -0.436196 -0.210845


%chk=000208150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208150

0 1
S 2.605501 -2.129365 -0.424497
O -2.799298 0.537823 0.017232
O 1.806416 2.312440 0.330938
N -6.490837 -0.009206 -0.032255
C 0.879493 0.129641 -0.045251
C 1.011316 -1.268391 -0.284743
C -5.201886 0.718811 0.018872
C 3.431423 0.570439 0.039504
C -4.030387 -0.263438 -0.120755
C -1.570217 -0.121044 -0.095287
C 2.027717 1.073316 0.120033
C -0.423865 0.681580 0.045649
C 3.800268 -0.784468 -0.188907
C -0.141732 -2.076144 -0.428463
C -1.428432 -1.516743 -0.336538
C 4.474912 1.529054 0.206704
C 5.166732 -1.165011 -0.246426
C -7.589488 0.783727 -0.619477
C -6.874009 -0.606559 1.263814
C 5.825973 1.160039 0.150807
C 6.173130 -0.198323 -0.077338
H -5.073781 1.311121 0.956526
H -5.156779 1.432777 -0.822455
H -4.065845 -0.754483 -1.112571
H -4.059273 -1.041862 0.668434
H -0.516678 1.755807 0.230048
H -0.035014 -3.150611 -0.613954
H -2.301278 -2.164880 -0.453844
H 4.166432 2.564948 0.380923
H 5.433490 -2.212856 -0.423085
H -7.878954 1.672872 -0.004280
H -7.299878 1.140211 -1.623494
H -8.484776 0.145541 -0.731497
H -7.762499 -1.248823 1.128141
H -6.059069 -1.241115 1.653372
H -7.114891 0.159418 2.043856
H 6.609505 1.913212 0.282144
H 7.225258 -0.499752 -0.122982


