%chk=000190826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190826

0 1
S 0.516559 1.930397 0.870520
S -0.517323 1.921409 -0.889706
O 6.378729 -1.830932 0.752143
O -6.379150 -1.840627 -0.732106
O 7.649439 -0.027888 1.113064
O -7.649092 -0.041076 -1.112638
N 3.653143 -1.285676 -0.916150
N -3.653260 -1.276946 0.929535
C 4.023557 0.000382 -0.246867
C -4.023953 0.002162 0.247212
C 2.826279 0.978247 -0.281895
C -2.826870 0.980569 0.272295
C 5.220936 0.618675 -1.009197
C -5.221468 0.627972 1.003187
C 1.779024 0.635221 0.765736
C -1.779570 0.627146 -0.771827
C 6.462343 -0.280607 -1.029519
C -6.462662 -0.271352 1.032862
C 6.921813 -0.620324 0.355187
C -6.921934 -0.625664 -0.348251
H 4.330941 -0.163827 0.820587
H -4.331284 -0.172937 -0.818525
H 2.378036 0.972170 -1.300325
H 3.192911 2.014981 -0.130432
H -2.378605 0.984905 1.290724
H -3.193711 2.015641 0.110334
H 4.917871 0.817991 -2.059780
H 5.475163 1.600870 -0.563796
H -4.918411 0.838219 2.051637
H -5.475965 1.605444 0.547665
H 2.222797 0.579850 1.783350
H 1.311169 -0.347468 0.572961
H -2.223345 0.561422 -1.788824
H -1.311551 -0.353467 -0.569136
H 6.248045 -1.209048 -1.608120
H 7.289926 0.232211 -1.567914
H -6.248181 -1.193623 1.621189
H -7.290408 0.246871 1.565795
H 2.737838 -1.604049 -0.616414
H 4.321262 -2.014403 -0.668103
H -2.737913 -1.598186 0.633001
H -4.321268 -2.008293 0.688995
H 6.674166 -2.105488 1.659413
H -6.674423 -2.124772 -1.636470


%chk=000190826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190826

0 1
S 0.342642 2.074175 1.057845
S -0.349853 2.055573 -1.106792
O 5.741285 -2.558269 -0.234709
O -5.721049 -2.545863 0.276997
O 7.490189 -1.562584 0.919270
O -7.492259 -1.589093 -0.875916
N 3.483873 -0.633559 -1.259337
N -3.480910 -0.598593 1.277195
C 3.975032 0.127325 -0.094433
C -3.976719 0.130842 0.094674
C 2.985478 1.276556 0.235025
C -2.991483 1.274486 -0.265989
C 5.392577 0.709407 -0.359348
C -5.396128 0.714571 0.346550
C 1.724360 0.772771 0.951097
C -1.732062 0.756769 -0.975018
C 6.396066 -0.332155 -0.933429
C -6.395387 -0.316669 0.946154
C 6.636050 -1.489324 0.010089
C -6.635266 -1.494257 0.028636
H 4.046258 -0.532579 0.802274
H -4.047469 -0.552244 -0.784277
H 2.705097 1.772711 -0.716065
H 3.483594 2.039646 0.861484
H -2.708678 1.793742 0.672056
H -3.493944 2.021496 -0.908150
H 5.305899 1.521379 -1.106832
H 5.797293 1.146848 0.574798
H -5.312858 1.545006 1.073940
H -5.802542 1.127504 -0.597969
H 1.926252 0.518795 2.009147
H 1.297816 -0.117978 0.457749
H -1.935318 0.481872 -2.027538
H -1.304576 -0.123994 -0.464881
H 5.988794 -0.704315 -1.887496
H 7.367454 0.159236 -1.112738
H -5.982839 -0.667300 1.906152
H -7.367270 0.176168 1.118423
H 2.538725 -0.418079 -1.579863
H 3.731900 -1.624899 -1.273318
H -2.538295 -0.368713 1.594822
H -3.724474 -1.590204 1.317156
H 5.932630 -3.290649 0.412948
H -5.908287 -3.289452 -0.358985


