%chk=000229590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229590

0 1
S 1.821893 -0.204745 -1.087260
S -1.817212 -0.208194 1.084779
O 1.613861 -1.779718 -0.500061
O -1.611006 -1.781459 0.492259
O 0.506769 0.201202 -1.566926
O 2.890604 -0.265549 -2.049218
O -0.501665 0.194854 1.565678
O -2.885934 -0.271245 2.046575
C 0.001224 -3.498511 -0.008005
C 2.779416 2.017539 0.231533
C -2.772497 2.019720 -0.226177
C 0.608272 -2.605247 -1.120619
C -0.605106 -2.609739 1.108598
C 2.263012 0.562268 0.389593
C -2.257785 0.564410 -0.389325
C -1.095758 -4.367504 -0.637656
C 1.097590 -4.371093 0.617773
C 1.778289 2.846232 -0.590273
C 4.153538 2.018219 -0.454793
C 2.909039 2.629603 1.640205
C -1.769917 2.844643 0.597646
C -4.146172 2.019690 0.461036
C -2.902346 2.636515 -1.632776
H 1.127562 -3.204386 -1.889206
H -0.177238 -1.976807 -1.585779
H -1.124127 -3.212047 1.874903
H 0.180798 -1.983474 1.576054
H 3.010173 -0.029298 0.959591
H 1.379905 0.577139 1.100847
H -3.005797 -0.024332 -0.961118
H -1.374817 0.580875 -1.100718
H -1.487805 -5.095800 0.081162
H -0.734105 -4.927639 -1.504744
H -1.946177 -3.749047 -0.958005
H 1.489258 -5.096332 -0.104331
H 0.735457 -4.934997 1.482222
H 1.948334 -3.754658 0.941119
H 2.017593 3.914373 -0.543987
H 0.743981 2.730049 -0.217607
H 1.770204 2.578052 -1.653099
H 4.515607 3.037974 -0.621100
H 4.909952 1.498093 0.141243
H 4.133378 1.522704 -1.438768
H 3.288655 3.655655 1.594279
H 3.596795 2.057884 2.271258
H 1.942207 2.660817 2.156772
H -1.760716 2.572361 1.659413
H -0.736131 2.729215 0.223301
H -2.008629 3.913092 0.555716
H -4.125927 1.521056 1.443428
H -4.903509 1.502200 -0.136130
H -4.507081 3.039291 0.630755
H -1.935857 2.668026 -2.149980
H -3.591396 2.067814 -2.265134
H -3.280456 3.662953 -1.583242


%chk=000229590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229590

0 1
S 1.871451 -0.122777 -1.311745
S -1.866041 -0.126067 1.308114
O 1.711321 -1.869747 -0.603503
O -1.706193 -1.870149 0.592633
O 0.374552 0.375427 -1.730201
O 3.012355 -0.088355 -2.456353
O -0.369087 0.370047 1.728821
O -3.007051 -0.096333 2.452754
C 0.001834 -3.534916 -0.007956
C 3.098516 2.032681 0.254332
C -3.092199 2.036460 -0.248887
C 0.577823 -2.648322 -1.143822
C -0.573442 -2.651364 1.130665
C 2.443661 0.646385 0.382814
C -2.437663 0.650575 -0.383338
C -1.114548 -4.419157 -0.621332
C 1.117440 -4.422082 0.602572
C 2.211304 3.013639 -0.555603
C 4.515402 1.938858 -0.369116
C 3.207797 2.536951 1.729299
C -2.205058 3.013572 0.565753
C -4.509285 1.940116 0.373752
C -3.201026 2.547427 -1.721567
H 0.942762 -3.280966 -1.975155
H -0.206535 -1.957512 -1.512765
H -0.938970 -3.286273 1.960008
H 0.211451 -1.962365 1.501857
H 3.128076 -0.136301 0.751320
H 1.482531 0.636026 0.929918
H -3.122226 -0.130293 -0.755425
H -1.476361 0.642163 -0.930176
H -1.535399 -5.090126 0.150283
H -0.714695 -5.049411 -1.437128
H -1.939609 -3.803041 -1.019415
H 1.537406 -5.091209 -0.171116
H 0.717168 -5.054329 1.416612
H 1.943210 -3.807935 1.002195
H 2.630039 4.033773 -0.488564
H 1.177910 3.036566 -0.164400
H 2.169855 2.736150 -1.624741
H 4.974629 2.943265 -0.407217
H 5.173258 1.286999 0.236362
H 4.478574 1.532080 -1.394660
H 3.718979 3.516996 1.737202
H 3.798134 1.842713 2.355620
H 2.210655 2.659505 2.189483
H -2.164064 2.731248 1.633639
H -1.171517 3.038045 0.175054
H -2.623535 4.034095 0.503183
H -4.472858 1.528163 1.397247
H -5.167286 1.291614 -0.235157
H -4.968081 2.944507 0.416853
H -2.203776 2.672090 -2.180936
H -3.791212 1.856065 -2.351199
H -3.712176 3.527522 -1.725170


