%chk=000270098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270098

0 1
S -5.682937 0.199921 0.047836
O 2.417982 0.516771 -0.119985
O 1.022561 -0.162764 1.565043
O -6.038218 0.436214 1.437783
O -6.272005 1.028829 -0.993913
N 0.224214 0.558652 -0.535948
C 3.619042 0.246580 0.725051
C 4.668086 1.181337 0.127217
C 3.885103 -1.255860 0.655890
C 5.006525 0.954785 -1.350515
C 5.241016 -1.648368 1.258115
C 5.672601 -0.389301 -1.679525
C 6.305849 -2.006405 0.211077
C 6.749400 -0.836206 -0.679132
C 1.194515 0.253502 0.440893
C -1.181710 0.464319 -0.347543
C -3.958684 0.290142 -0.104683
C -6.026793 -1.495270 -0.331805
C -2.004291 0.797324 -1.448535
C -1.751005 0.060691 0.875122
C -3.387069 0.713050 -1.309354
C -3.137097 -0.011515 0.986912
C -7.525435 -1.734635 -0.246044
H 3.356217 0.558365 1.763172
H 5.593965 1.093408 0.737131
H 4.316899 2.227991 0.249469
H 3.819982 -1.592995 -0.402313
H 3.067232 -1.786840 1.186206
H 4.076031 1.047141 -1.948122
H 5.667677 1.780159 -1.683709
H 5.094868 -2.523520 1.924294
H 5.621769 -0.844895 1.917721
H 4.885697 -1.171173 -1.752744
H 6.115340 -0.323782 -2.692378
H 7.195070 -2.409733 0.737314
H 5.938101 -2.837129 -0.423062
H 7.065978 0.016323 -0.047036
H 7.658269 -1.140226 -1.235150
H 0.566545 0.898179 -1.442163
H -5.660582 -1.769976 -1.340419
H -5.497916 -2.183336 0.356689
H -1.573611 1.126099 -2.390731
H -1.113786 -0.183334 1.732850
H -4.032715 0.991579 -2.152327
H -3.583792 -0.298432 1.947007
H -8.082783 -1.104701 -0.956474
H -7.917443 -1.523243 0.760940
H -7.775762 -2.778221 -0.476023


%chk=000270098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270098

0 1
S -5.866635 0.256565 -0.001965
O 2.426231 0.408233 -0.178666
O 1.022766 -0.099017 1.649158
O -6.263525 0.612789 1.548300
O -6.456934 1.111470 -1.272158
N 0.198699 0.440896 -0.509831
C 3.651771 0.177262 0.674085
C 4.712922 1.165358 0.169877
C 3.983772 -1.331027 0.637898
C 5.176560 1.054431 -1.301484
C 5.379158 -1.695128 1.225884
C 5.916662 -0.246213 -1.724024
C 6.498012 -1.962208 0.183478
C 6.970475 -0.784618 -0.711235
C 1.189573 0.214845 0.444281
C -1.203496 0.374582 -0.337876
C -3.984737 0.271551 -0.140814
C -6.383148 -1.601475 -0.294182
C -2.013075 0.633441 -1.480853
C -1.811130 0.081051 0.915725
C -3.415966 0.586031 -1.386669
C -3.216849 0.036311 1.011346
C -7.901861 -1.693356 -0.188466
H 3.368235 0.451931 1.709234
H 5.587002 1.075787 0.843269
H 4.311801 2.185474 0.330539
H 3.907968 -1.693220 -0.403067
H 3.191400 -1.848319 1.210170
H 4.305037 1.206055 -1.967303
H 5.857331 1.911073 -1.482392
H 5.271903 -2.615730 1.831657
H 5.709689 -0.910569 1.937220
H 5.185352 -1.047664 -1.942569
H 6.417849 -0.033866 -2.689093
H 7.381330 -2.349802 0.731874
H 6.162551 -2.786661 -0.480376
H 7.345391 0.044520 -0.076809
H 7.851720 -1.147244 -1.276899
H 0.551329 0.687705 -1.437336
H -5.983337 -1.830086 -1.295074
H -5.839947 -2.151913 0.490675
H -1.542407 0.879204 -2.440441
H -1.182373 -0.098227 1.789700
H -4.058122 0.815748 -2.243438
H -3.708074 -0.148122 1.972853
H -8.390191 -1.060610 -0.949454
H -8.248513 -1.377796 0.810610
H -8.219271 -2.739942 -0.351258


