%chk=000229559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229559

0 1
S 4.730222 -1.530941 -1.121684
O -9.062624 1.433410 0.572947
O -8.087538 1.283299 -1.432971
C -0.797824 -1.233851 -0.211083
C -2.013071 -0.858325 0.647558
C 0.393935 -1.658017 0.658004
C -3.203535 -0.435229 -0.223491
C 1.607398 -2.030700 -0.204194
C -4.418810 -0.057897 0.634528
C 2.803100 -2.447822 0.663094
C -5.604888 0.361860 -0.241237
C 4.000649 -2.894790 -0.162594
C -6.819349 0.738758 0.613783
C 6.219442 0.637494 -0.585240
C 5.522827 -0.496940 0.155869
C 6.924626 1.583520 0.399171
C 7.630059 2.730543 -0.337945
C -7.976996 1.158913 -0.237528
C 8.333894 3.676161 0.632571
H -1.065996 -2.052000 -0.907208
H -0.509330 -0.377636 -0.851594
H -2.299802 -1.714588 1.288041
H -1.743638 -0.038932 1.341646
H 0.662925 -0.838324 1.351822
H 0.106708 -2.514297 1.297859
H -3.471482 -1.254971 -0.918309
H -2.914633 0.419624 -0.865753
H 1.340288 -2.849067 -0.899768
H 1.891258 -1.173158 -0.848005
H -4.704590 -0.913570 1.276810
H -4.148322 0.762948 1.326971
H 2.500103 -3.278520 1.335406
H 3.084748 -1.614651 1.337633
H -5.321936 1.216791 -0.889441
H -5.876175 -0.455994 -0.939889
H 4.773536 -3.357749 0.477484
H 3.710953 -3.660654 -0.911151
H -6.566882 1.559665 1.321910
H -7.126564 -0.110462 1.264388
H 5.488597 1.210070 -1.193390
H 6.958759 0.232394 -1.307259
H 6.239615 -1.099550 0.741114
H 4.760541 -0.114558 0.858248
H 7.659826 1.020192 1.005341
H 6.192070 1.995978 1.119218
H 8.364560 2.319934 -1.058564
H 6.895971 3.296299 -0.944881
H 7.628397 4.131549 1.336781
H 9.096468 3.155587 1.222945
H 8.834269 4.491210 0.097409
H -9.862660 1.720396 0.059729


%chk=000229559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229559

0 1
S 4.774485 -1.563576 -1.263101
O -9.214829 1.549896 0.615843
O -8.212498 1.271859 -1.458985
C -0.848132 -1.320236 -0.197008
C -2.069181 -0.884847 0.644192
C 0.378667 -1.708321 0.659046
C -3.288295 -0.480723 -0.215074
C 1.595729 -2.143450 -0.187702
C -4.510584 -0.046629 0.624820
C 2.828636 -2.504466 0.668815
C -5.721322 0.360928 -0.243179
C 4.060784 -2.928257 -0.153295
C -6.929598 0.788935 0.611142
C 6.329536 0.691531 -0.629268
C 5.623583 -0.492608 0.053365
C 7.040647 1.620933 0.383167
C 7.745488 2.816926 -0.298185
C -8.129545 1.210400 -0.213265
C 8.453195 3.750178 0.707306
H -1.133365 -2.179187 -0.839860
H -0.565655 -0.497723 -0.886635
H -2.358354 -1.711961 1.326162
H -1.780400 -0.032549 1.294645
H 0.666170 -0.845804 1.296722
H 0.097043 -2.527740 1.353711
H -3.575512 -1.331488 -0.867522
H -2.998513 0.347263 -0.895025
H 1.315759 -3.017755 -0.812598
H 1.873658 -1.332358 -0.889583
H -4.801115 -0.877079 1.302283
H -4.220158 0.802101 1.279373
H 2.567862 -3.341228 1.352263
H 3.090790 -1.646053 1.320310
H -5.437590 1.189520 -0.919952
H -6.014052 -0.481440 -0.898999
H 4.882549 -3.278769 0.497384
H 3.806489 -3.743695 -0.854418
H -6.664776 1.634637 1.276715
H -7.251312 -0.028026 1.286494
H 5.586516 1.277198 -1.207055
H 7.068116 0.306976 -1.360593
H 6.347155 -1.129661 0.594663
H 4.856367 -0.136151 0.763836
H 7.787512 1.038716 0.962326
H 6.301972 2.002928 1.118705
H 8.483381 2.434245 -1.032407
H 6.998998 3.394767 -0.880146
H 7.732200 4.172999 1.432392
H 9.224223 3.202927 1.282179
H 8.950419 4.594162 0.194806
H -9.984044 1.825156 0.046291


