%chk=000230389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230389

0 1
S -1.495120 -1.530274 0.911695
O 1.457377 -0.256320 -2.575964
O -0.517472 -1.251505 -0.470357
O 2.978267 -0.510589 0.508558
O 2.052165 2.083391 0.150668
O 2.491606 -2.249688 -1.971332
O -0.718525 -1.013765 2.011550
O -1.876723 -2.913269 0.857238
O 2.717212 -2.484423 1.601140
O 0.038991 2.746571 0.947278
C 1.547603 -0.309130 0.345875
C 0.890905 -1.478036 -0.431053
C 1.425059 0.957172 -0.519148
C 1.265533 -1.517674 -1.939037
C 2.183479 0.748107 -1.837565
C -2.784664 -0.492715 0.500251
C 3.449425 -1.630106 1.169379
C 1.236327 2.912457 0.896185
C 2.962446 -2.565809 -3.298880
C -3.986926 -1.023807 0.011655
C -2.641378 0.895142 0.643206
C 4.935247 -1.541176 1.212269
C 2.074981 3.954417 1.543511
C -5.041437 -0.178984 -0.324987
C -3.694783 1.743891 0.305807
C -4.901849 1.214574 -0.182020
C -6.032964 2.121682 -0.530294
H 1.110971 -0.193565 1.370042
H 1.124439 -2.462796 0.050093
H 0.343110 1.183689 -0.701833
H 0.475186 -1.976065 -2.572394
H 3.223599 0.412483 -1.671377
H 2.150233 1.624644 -2.504648
H 3.035701 -1.654208 -3.901373
H 2.296970 -3.299588 -3.762519
H 3.951786 -2.995925 -3.106956
H -4.099529 -2.108852 -0.102911
H -1.701418 1.326896 1.022326
H 5.305724 -1.709066 2.235248
H 5.382789 -2.315258 0.567672
H 5.308597 -0.564289 0.865934
H 1.721354 4.964292 1.282680
H 2.023805 3.865107 2.641813
H 3.136900 3.879490 1.255159
H -5.973532 -0.597367 -0.700291
H -3.574145 2.820721 0.420926
H -5.689558 3.098422 -0.900411
H -6.691525 1.700801 -1.302907
H -6.660037 2.317500 0.354400


%chk=000230389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230389

0 1
S -1.557657 -1.609678 0.884438
O 1.487873 -0.324223 -2.670556
O -0.479637 -1.131687 -0.608155
O 3.108287 -0.494794 0.416076
O 2.106220 2.166923 0.052375
O 2.735769 -2.258481 -1.897743
O -0.778900 -1.142828 2.226786
O -2.045822 -3.142800 0.722880
O 2.739122 -2.258151 1.899795
O 0.060157 2.647735 1.072598
C 1.646241 -0.275707 0.266344
C 0.959614 -1.452148 -0.486382
C 1.494865 0.980465 -0.600765
C 1.443715 -1.598202 -1.948754
C 2.188871 0.770049 -1.954682
C -2.952997 -0.437009 0.457288
C 3.528963 -1.538872 1.252393
C 1.269469 2.917772 0.888665
C 3.200297 -2.695338 -3.225708
C -4.143031 -0.999044 -0.027076
C -2.752446 0.939439 0.660210
C 5.034914 -1.653072 1.214558
C 2.037386 4.049506 1.530435
C -5.207722 -0.115810 -0.314883
C -3.834793 1.792899 0.359433
C -5.070395 1.284276 -0.128288
C -6.216000 2.228526 -0.441329
H 1.185360 -0.176174 1.264667
H 1.117863 -2.402302 0.052731
H 0.416320 1.161996 -0.750517
H 0.709393 -2.189790 -2.529407
H 3.255920 0.524071 -1.814509
H 2.077122 1.650709 -2.604685
H 3.309301 -1.834010 -3.909613
H 2.493693 -3.427944 -3.665912
H 4.176202 -3.175594 -3.058110
H -4.235050 -2.081114 -0.163828
H -1.802604 1.344289 1.025740
H 5.380153 -2.291874 2.040347
H 5.332655 -2.109651 0.253184
H 5.506767 -0.658810 1.272819
H 1.342834 4.847546 1.832320
H 2.549610 3.672842 2.434778
H 2.806876 4.440797 0.847135
H -6.153198 -0.522564 -0.690150
H -3.711500 2.872311 0.503811
H -5.924579 2.964899 -1.213198
H -7.103177 1.686355 -0.808913
H -6.516121 2.801469 0.455658


