%chk=000229686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229686

0 1
S 4.477418 -0.788580 0.148005
S -4.477401 0.788769 0.142821
O 3.020512 0.070178 0.170489
O -3.020507 -0.069913 0.168796
O 4.494307 -1.526753 -1.089879
O 4.548867 -1.504240 1.395281
O -4.493866 1.522684 -1.097594
O -4.549278 1.508713 1.387608
C 7.010468 0.180594 0.338940
C -7.010384 -0.179808 0.337221
C 5.540787 0.588332 0.110089
C -5.540771 -0.588251 0.109214
C 7.856824 1.407309 0.747130
C 7.587712 -0.525582 -0.905497
C -7.856672 -1.405275 0.749260
C -7.587903 0.522671 -0.909179
C 0.686530 0.336366 0.170042
C -0.686525 -0.336101 0.169899
C 7.875433 2.537131 -0.277818
C 8.845476 -1.324673 -0.577425
C -7.875523 -2.538154 -0.272302
C -8.845429 1.322966 -0.583138
C 1.803780 -0.707883 0.171582
C -1.803774 0.708148 0.168025
H 7.046834 -0.536059 1.204145
H -7.046518 0.539424 1.200298
H 5.243528 1.344321 0.871203
H 5.457547 1.147485 -0.848066
H -5.243328 -1.342020 0.872456
H -5.457782 -1.150209 -0.847322
H 7.492974 1.794329 1.719554
H 8.896544 1.066053 0.934147
H 6.834037 -1.206398 -1.358707
H 7.811078 0.221099 -1.693722
H -8.896345 -1.063441 0.935484
H -7.492616 -1.789394 1.722757
H -7.811648 -0.226374 -1.695052
H -6.834265 1.201969 -1.364709
H 0.805092 0.997768 -0.712623
H 0.804154 0.999368 1.051651
H -0.805215 -0.997309 1.052719
H -0.804021 -0.999296 -0.711555
H 6.893508 3.009199 -0.388124
H 8.181836 2.176048 -1.268154
H 8.582516 3.322152 0.015792
H 8.646863 -2.108185 0.164107
H 9.237752 -1.821650 -1.473190
H 9.643962 -0.687096 -0.181208
H -6.893637 -3.010585 -0.381388
H -8.182106 -2.180020 -1.263654
H -8.582578 -3.322268 0.023790
H -8.646439 2.108723 0.155916
H -9.237939 1.817248 -1.480290
H -9.643878 0.686738 -0.184686
H 1.789514 -1.340632 -0.736252
H 1.790715 -1.336591 1.082063
H -1.791041 1.339497 1.076685
H -1.789177 1.338257 -0.741634


%chk=000229686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229686

0 1
S 4.628201 -0.915450 -0.255748
S -4.627571 0.912884 -0.259461
O 3.078771 0.102809 0.045361
O -3.078519 -0.104640 0.046250
O 4.564899 -1.525159 -1.758095
O 4.872275 -1.931063 0.984516
O -4.563315 1.516750 -1.764141
O -4.871964 1.933324 0.976752
C 7.181265 0.181706 0.395663
C -7.181352 -0.180649 0.394931
C 5.807185 0.619536 -0.124507
C -5.807192 -0.621105 -0.122795
C 7.931519 1.437754 0.944129
C 7.971800 -0.613587 -0.678034
C -7.933226 -1.434557 0.946048
C -7.970125 0.612536 -0.681607
C 0.691322 0.348658 -0.059000
C -0.691028 -0.351599 -0.056936
C 8.270990 2.521166 -0.104149
C 9.316892 -1.172145 -0.169036
C -8.274195 -2.519630 -0.100036
C -9.314905 1.174264 -0.175243
C 1.829167 -0.682278 -0.090195
C -1.828709 0.679345 -0.093728
H 7.011769 -0.489693 1.264431
H -7.011928 0.492943 1.262016
H 5.250446 1.273123 0.566145
H 5.793412 1.013066 -1.153339
H -5.251114 -1.272204 0.570739
H -5.792996 -1.018698 -1.150059
H 7.320887 1.887543 1.752782
H 8.864938 1.089694 1.425299
H 7.346751 -1.458368 -1.030204
H 8.141692 0.028997 -1.565015
H -8.866172 -1.084289 1.426521
H -7.323173 -1.883483 1.755614
H -8.140112 -0.032300 -1.566931
H -7.343745 1.455554 -1.035618
H 0.786605 1.018745 -0.934032
H 0.798687 0.972879 0.848257
H -0.798336 -0.970688 0.853832
H -0.786481 -1.026572 -0.928188
H 7.363557 2.930985 -0.585334
H 8.927564 2.127600 -0.900665
H 8.799844 3.365641 0.373252
H 9.169279 -1.800678 0.729081
H 9.794822 -1.800280 -0.942029
H 10.028123 -0.367222 0.091268
H -7.367325 -2.931578 -0.580457
H -8.930302 -2.126768 -0.897285
H -8.804121 -3.362457 0.379082
H -9.167220 1.804901 0.721386
H -9.791276 1.801061 -0.950281
H -10.027484 0.371004 0.086488
H 1.835869 -1.238887 -1.048223
H 1.744330 -1.394641 0.753383
H -1.743576 1.396291 0.745930
H -1.835397 1.230702 -1.054783


