%chk=000198837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198837

0 1
S -5.198722 -0.127057 -0.239615
O -5.619898 1.173058 -0.826481
N 2.991982 -0.720786 -0.118259
N 1.568850 1.073099 0.094615
N 4.024951 1.501914 0.172689
C 0.838048 -0.112465 -0.059636
C -0.627022 -0.103470 -0.076806
C 1.687286 -1.224435 -0.193039
C 2.879226 0.734611 0.064582
C -1.342712 -1.258080 0.290600
C -1.320541 1.056918 -0.462633
C -3.413224 -0.093721 -0.122942
C -2.739770 -1.251016 0.265052
C -2.717943 1.056883 -0.487820
C 4.235170 -1.339359 -0.186726
C 5.345123 -0.539893 -0.075480
C 5.194496 0.881504 0.104169
C -5.559016 -0.046338 1.538321
H 1.449857 -2.258896 -0.338371
H -0.812184 -2.154688 0.603810
H -0.762600 1.957842 -0.733889
H -3.284814 -2.150440 0.548500
H -3.266413 1.955691 -0.795017
H 4.275169 -2.423231 -0.324931
H 6.346493 -0.963993 -0.121412
H 6.093259 1.510444 0.192124
H -6.641774 0.012334 1.691631
H -5.181902 -0.930591 2.054446
H -5.125872 0.837360 2.019317


%chk=000198837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198837

0 1
S -5.317221 0.024147 -0.276346
O -5.595124 1.642720 -0.605333
N 3.021515 -0.744617 0.012811
N 1.580103 1.036405 -0.250646
N 3.983747 1.508497 -0.272950
C 0.864288 -0.155970 -0.100455
C -0.608130 -0.157582 -0.124225
C 1.734353 -1.259114 0.062140
C 2.887171 0.707362 -0.182310
C -1.355091 -1.358313 0.031630
C -1.298953 1.071102 -0.315682
C -3.413178 -0.097386 -0.171237
C -2.765510 -1.334871 0.003183
C -2.707664 1.104507 -0.345602
C 4.276162 -1.318606 0.108588
C 5.386472 -0.486301 0.014590
C 5.196240 0.924416 -0.176527
C -5.634772 -0.105256 1.624822
H 1.538616 -2.318949 0.199488
H -0.841562 -2.316337 0.171157
H -0.705997 1.981770 -0.443017
H -3.334146 -2.266259 0.109520
H -3.277601 2.028880 -0.507464
H 4.335823 -2.400216 0.253525
H 6.391356 -0.907233 0.085889
H 6.061137 1.591239 -0.253285
H -6.718833 0.026526 1.755602
H -5.295584 -1.087978 1.986006
H -5.072113 0.720620 2.082927


