%chk=000268053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268053

0 1
S -3.306168 0.389300 0.442982
O 0.932075 -1.929253 0.167943
O 2.268412 -2.601367 -1.490872
O 0.545510 1.809565 -1.496043
C 2.192607 -0.065516 1.062521
C 3.129534 -0.977547 0.209941
C 1.842017 1.330243 0.487746
C 0.951019 -0.973895 1.285154
C 4.071602 -0.290931 -0.785433
C 3.007400 1.925206 -0.329379
C 3.471711 0.959916 -1.419247
C -0.431484 -0.331736 1.290999
C 2.140335 -1.909018 -0.520654
C 0.576339 1.289540 -0.401091
C 3.957652 -1.887489 1.135352
C 1.513264 2.298351 1.642452
C -0.643411 0.661115 0.195644
C -1.846891 1.023284 -0.273225
C -4.616087 1.047111 -0.646029
C -5.942437 0.530203 -0.106184
C -6.170303 -0.958444 -0.407472
C -7.539350 -1.424167 0.081758
H 2.690635 0.114244 2.046332
H 1.085592 -1.608195 2.190345
H 4.353837 -1.018064 -1.578227
H 5.019187 -0.023801 -0.275149
H 3.848240 2.180517 0.341468
H 2.679178 2.878106 -0.794996
H 2.623076 0.699035 -2.087394
H 4.217202 1.450599 -2.073839
H -0.629154 0.139880 2.277673
H -1.180233 -1.160474 1.195400
H 4.555095 -2.604355 0.554166
H 4.657027 -1.305762 1.746321
H 3.332370 -2.475431 1.817143
H 2.382283 2.457778 2.290633
H 1.214323 3.284345 1.263718
H 0.695483 1.932013 2.272822
H -1.944501 1.729472 -1.104824
H -4.444413 0.719273 -1.688514
H -4.588330 2.152264 -0.641542
H -6.022963 0.710687 0.986112
H -6.766114 1.126014 -0.555350
H -6.078243 -1.142810 -1.496047
H -5.376440 -1.571049 0.065981
H -7.692721 -2.488221 -0.134024
H -8.353976 -0.873009 -0.401231
H -7.649088 -1.292930 1.164358


%chk=000268053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268053

0 1
S -3.350946 0.105525 0.476222
O 0.911982 -1.837237 0.107756
O 2.257504 -2.432761 -1.686000
O 0.387531 2.168805 -1.220433
C 2.274137 -0.060414 1.080145
C 3.158106 -0.958333 0.140068
C 1.894468 1.379350 0.559183
C 1.042904 -0.984860 1.340929
C 4.099442 -0.223880 -0.842476
C 3.011367 1.986370 -0.329572
C 3.462177 1.036156 -1.452917
C -0.310085 -0.295902 1.536762
C 2.117118 -1.806388 -0.623494
C 0.534103 1.428373 -0.197607
C 3.991733 -1.965399 0.994752
C 1.701797 2.324667 1.793351
C -0.597814 0.668503 0.403579
C -1.846805 0.876453 -0.117547
C -4.570536 0.719056 -0.862380
C -6.017593 0.451592 -0.423703
C -6.380313 -1.046324 -0.292047
C -7.861464 -1.257549 0.086577
H 2.815615 0.083966 2.034706
H 1.245594 -1.677462 2.178657
H 4.388450 -0.943211 -1.632083
H 5.024089 0.062537 -0.301635
H 3.883321 2.232766 0.311816
H 2.629263 2.929726 -0.757583
H 2.600330 0.772470 -2.094674
H 4.197156 1.544031 -2.105169
H -0.312041 0.210613 2.523149
H -1.095782 -1.073850 1.582505
H 4.544889 -2.654629 0.332483
H 4.723855 -1.413331 1.611724
H 3.361885 -2.575666 1.667437
H 2.644411 2.378309 2.370039
H 1.450587 3.345311 1.452692
H 0.902749 1.989171 2.476922
H -1.954269 1.572613 -0.959861
H -4.320570 0.187417 -1.796043
H -4.379596 1.798634 -0.985941
H -6.217883 0.972568 0.533682
H -6.683960 0.917534 -1.179055
H -6.161667 -1.558811 -1.250522
H -5.730928 -1.520922 0.469538
H -8.103816 -2.331951 0.174374
H -8.533957 -0.820762 -0.675876
H -8.095838 -0.778279 1.055767


