%chk=000206028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206028

0 1
S 0.411271 3.097213 -1.075018
S -0.132710 -3.502548 -0.561664
S 3.465839 0.922343 1.725575
O -1.178225 -1.410801 0.081100
O -3.173025 1.224598 -0.366065
O -3.342080 -0.815847 0.663337
O -0.683559 1.978650 -0.379025
O 1.141779 -2.399641 -0.277989
O 2.219815 0.027967 1.035926
O -0.320817 3.902487 -2.005761
O 1.473920 2.247301 -1.575536
O -0.844193 -3.043112 -1.737220
O -0.794084 -3.820387 0.666207
O 3.001888 2.292630 1.729914
O 4.682249 0.574162 1.046676
C -2.335118 0.351967 -1.122069
C -0.828902 0.717612 -1.015308
C -0.200609 -0.359954 -0.092294
C -2.474577 -1.037492 -0.431750
C -3.505258 0.611255 0.918889
C 1.023195 -1.050828 -0.734070
C 2.344125 -0.365522 -0.346614
C -2.544718 1.066924 1.997084
C -4.975842 0.865047 1.164064
C 0.835219 3.955601 0.345044
C 0.907762 -4.833532 -1.004708
C 3.400184 0.261897 3.323991
H -2.717996 0.414957 -2.157920
H -0.364085 0.727838 -2.028249
H 0.020235 0.033192 0.926139
H -2.843098 -1.923556 -0.977957
H 0.931741 -1.087991 -1.849913
H 3.195277 -1.068611 -0.433934
H 2.508256 0.544501 -0.971582
H -1.731593 1.667281 1.553500
H -2.084181 0.199253 2.493342
H -3.028542 1.677276 2.764110
H -5.587712 0.425893 0.362498
H -5.192309 1.940520 1.187910
H -5.304619 0.415492 2.109222
H 1.748854 3.547268 0.857950
H 1.055259 5.022196 0.186568
H 0.063091 3.926479 1.132629
H 1.975034 -4.613525 -0.840294
H 0.703039 -5.747227 -0.426912
H 0.819675 -5.111265 -2.065326
H 4.331961 -0.241064 3.631107
H 3.187370 1.009718 4.104655
H 2.611011 -0.506912 3.437239


%chk=000206028-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206028

0 1
S 0.568554 3.215051 -1.488324
S 0.083806 -3.885370 -0.844980
S 3.634352 0.968185 1.569188
O -1.596292 -1.334851 -0.355864
O -2.789198 1.445715 0.556795
O -3.881829 -0.625166 0.182434
O -0.132633 2.014138 -0.208392
O 0.948356 -2.465592 0.097825
O 2.187500 -0.095790 1.092534
O -0.627842 3.927765 -2.309461
O 1.696557 2.388851 -2.315161
O 0.023675 -3.451590 -2.408752
O -1.207775 -4.461199 -0.074557
O 3.266538 2.537230 1.385378
O 4.986317 0.388308 0.897714
C -2.347106 0.938263 -0.751893
C -0.805910 0.869715 -0.817241
C -0.458323 -0.435427 -0.054036
C -2.793599 -0.549053 -0.756166
C -3.731760 0.465532 1.187626
C 0.795014 -1.161323 -0.569636
C 2.107777 -0.394106 -0.359461
C -3.112797 -0.071075 2.481329
C -5.099629 1.120587 1.369161
C 1.331304 4.360416 -0.193122
C 1.524673 -5.090407 -0.565610
C 3.515676 0.511482 3.403112
H -2.785342 1.547204 -1.560609
H -0.506897 0.761031 -1.883183
H -0.382649 -0.238572 1.030189
H -3.157430 -0.982721 -1.697914
H 0.680754 -1.333837 -1.664159
H 2.962392 -1.026216 -0.659331
H 2.094856 0.539532 -0.954501
H -2.202269 -0.651801 2.264900
H -3.830508 -0.736239 2.991298
H -2.862541 0.768542 3.152535
H -5.453909 1.528433 0.408690
H -5.030754 1.941561 2.102895
H -5.828968 0.376731 1.733117
H 2.041142 3.735313 0.374440
H 1.816611 5.165632 -0.762477
H 0.486076 4.714335 0.411641
H 1.657749 -5.147347 0.522593
H 1.209758 -6.047465 -1.004060
H 2.393844 -4.652508 -1.071541
H 3.686163 -0.571053 3.456540
H 4.295009 1.095849 3.910993
H 2.501708 0.793012 3.715002


