%chk=000259006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259006

0 1
S 5.397840 0.625799 0.126573
S -2.784632 0.670028 0.826606
S 1.994459 -1.254148 0.354501
S 0.402444 -1.808411 1.509204
O 6.375624 0.947604 -0.889290
O 5.761093 0.568813 1.529583
O -1.811583 1.197059 -0.114257
O -2.733290 1.049808 2.221672
O 5.635961 -3.581448 2.112095
O -3.065813 -1.738237 -2.166424
O 6.322842 -3.478149 -0.020493
O -3.120104 -3.628718 -0.968500
N 4.873632 -0.983100 -0.274158
N -2.610570 -1.053046 0.811293
C 4.542670 -1.936473 0.786549
C -1.740587 -1.697836 -0.181913
C 3.189214 -2.607268 0.510743
C -0.734270 -2.681552 0.416692
C 3.977574 1.551161 -0.083956
C -4.370433 0.912095 0.219699
C 5.604460 -3.051280 0.848335
C -2.698311 -2.506446 -1.083778
C 3.087482 1.722547 0.987167
C -5.391913 1.330470 1.083867
C 3.666541 2.094054 -1.337609
C -4.648294 0.705541 -1.136481
C 1.552103 2.910753 -0.469729
C -6.961128 1.339528 -0.767040
C 1.885896 2.398757 0.799264
C -6.679134 1.543645 0.597213
C 2.464805 2.770326 -1.532790
C -5.935403 0.918403 -1.630427
C 0.235109 3.566900 -0.678323
C -8.341982 1.569815 -1.279663
H 4.527043 -1.418714 1.796704
H -1.211023 -0.922773 -0.819703
H 5.221171 -1.423949 -1.137397
H -2.660746 -1.555158 1.707274
H 3.202784 -3.191903 -0.430327
H 2.926738 -3.310984 1.325668
H -0.198586 -3.235782 -0.380499
H -1.242805 -3.469601 1.018239
H 3.339771 1.327890 1.978041
H -5.176103 1.495244 2.147163
H 4.371410 1.987705 -2.169610
H -3.854503 0.370729 -1.818128
H 1.187172 2.511979 1.628056
H -7.468833 1.869389 1.272359
H 2.225302 3.181507 -2.511061
H -6.142584 0.759967 -2.687091
H -0.003747 4.290872 0.111794
H 0.146629 4.082430 -1.640726
H -0.573724 2.798775 -0.647183
H -8.681642 2.596862 -1.074435
H -8.432520 1.414857 -2.363434
H -9.065180 0.893145 -0.798106
H 6.326145 -4.290979 2.220509
H -3.688374 -2.212004 -2.781129


%chk=000259006-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259006

0 1
S 4.662753 0.519756 1.209118
S -2.380093 0.419215 -0.159096
S 1.658110 -1.554284 -0.579557
S 0.783932 -1.979910 1.489483
O 6.162423 1.144585 1.316884
O 3.889412 -0.140433 2.492220
O -1.751107 0.070255 -1.623678
O -1.763378 1.608211 0.776776
O 4.960206 -4.407855 0.976704
O -3.840817 -2.713339 -0.948907
O 6.615050 -2.950564 0.242793
O -3.134851 -4.382245 0.502631
N 4.779341 -0.868285 -0.095074
N -2.261702 -1.132484 0.943039
C 4.270272 -2.161091 0.399679
C -1.759474 -2.331422 0.206365
C 3.149008 -2.708453 -0.520779
C -0.672576 -3.080438 1.007780
C 3.532051 1.804124 0.444668
C -4.216865 0.736215 -0.359859
C 5.417126 -3.172915 0.520809
C -2.949041 -3.268978 -0.031085
C 2.159348 1.740869 0.731405
C -4.872510 1.457999 0.651066
C 4.115314 2.786379 -0.369985
C -4.845801 0.280988 -1.526888
C 1.855579 3.724176 -0.697351
C -6.938742 1.286110 -0.687628
C 1.321626 2.714575 0.148371
C -6.245788 1.726150 0.473612
C 3.254817 3.752740 -0.937651
C -6.220816 0.569263 -1.680199
C 0.934583 4.745118 -1.339279
C -8.416130 1.588238 -0.857192
H 3.846687 -2.024775 1.423775
H -1.348166 -2.027057 -0.783548
H 5.800699 -0.909466 -0.302945
H -1.544332 -0.816097 1.636303
H 3.491610 -2.751802 -1.569989
H 2.816206 -3.703513 -0.189456
H -0.296503 -3.937234 0.429335
H -1.072174 -3.455846 1.966749
H 1.759763 0.969466 1.395084
H -4.324577 1.813110 1.529255
H 5.196924 2.808356 -0.535472
H -4.278169 -0.267197 -2.284266
H 0.244552 2.667419 0.347009
H -6.785507 2.288372 1.244328
H 3.678459 4.535923 -1.576541
H -6.739150 0.234874 -2.585811
H 0.265327 5.206913 -0.591056
H 1.499946 5.549810 -1.839332
H 0.287062 4.264054 -2.096624
H -8.609679 2.675647 -0.806668
H -8.799445 1.221403 -1.823962
H -9.013604 1.115829 -0.055162
H 5.725296 -5.038812 1.065956
H -4.636387 -3.305150 -1.042957


