%chk=000284815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284815

0 1
S -0.003017 -0.003092 -1.886636
O 0.231008 -1.391746 -2.719234
O -0.234303 1.378043 -2.732384
O 1.509902 3.666873 0.556262
O -1.495974 -3.653761 0.578901
O -0.304421 2.301146 0.162760
O 0.332702 -2.272392 0.166681
O 6.635356 -1.220009 0.089114
O -6.651438 1.205106 0.076824
N 5.513073 0.754266 0.688312
N -5.517707 -0.758790 0.690964
C 1.615429 0.246293 -0.868357
C -1.623231 -0.244724 -0.869825
C 1.928902 1.415862 -0.133318
C -1.930378 -1.408508 -0.127193
C 2.559331 -0.764461 -1.086971
C -2.571187 0.760572 -1.096641
C 3.246403 1.541748 0.367610
C -3.246738 -1.537502 0.375261
C 4.217234 0.532212 0.151613
C -4.222907 -0.534263 0.152000
C 3.866262 -0.635932 -0.578185
C -3.877513 0.630048 -0.586853
C 0.917667 2.461925 0.185836
C -0.908833 -2.445590 0.196651
C 6.635842 -0.085181 0.643577
C -6.645026 0.074293 0.640460
C 7.864310 0.500621 1.338411
C -7.869523 -0.512153 1.341813
C 0.561349 4.755667 0.894248
C -0.542189 -4.735939 0.922466
H 2.260356 -1.640887 -1.670683
H -2.275955 1.633700 -1.686989
H 3.493155 2.446657 0.933303
H -3.488476 -2.439437 0.947779
H 4.611205 -1.416837 -0.736570
H -4.626009 1.406226 -0.751288
H 5.641532 1.648922 1.167654
H -5.641241 -1.650315 1.177345
H 7.690130 0.613926 2.424704
H 8.129916 1.491960 0.927028
H 8.710994 -0.183985 1.188452
H -7.696366 -0.606135 2.430121
H -8.125222 -1.512440 0.946163
H -8.722192 0.162176 1.179572
H 1.198426 5.620384 1.126100
H -0.056384 4.468565 1.761807
H -0.095499 4.963264 0.033623
H -1.175050 -5.601359 1.162839
H 0.076971 -4.439863 1.786067
H 0.113121 -4.947747 0.061605


%chk=000284815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284815

0 1
S 0.000239 -0.004831 -1.886501
O 0.230858 -1.391943 -2.722480
O -0.230415 1.378280 -2.729126
O 1.496830 3.655943 0.568276
O -1.496268 -3.652408 0.589290
O -0.331889 2.278125 0.155762
O 0.332383 -2.277766 0.166509
O 6.636959 -1.214874 0.083860
O -6.636358 1.215393 0.077608
N 5.513446 0.755236 0.693853
N -5.512895 -0.751395 0.698309
C 1.619589 0.241185 -0.868652
C -1.619096 -0.245767 -0.867152
C 1.927820 1.408088 -0.130447
C -1.927291 -1.408675 -0.122642
C 2.565722 -0.766746 -1.090467
C -2.565246 0.760954 -1.094324
C 3.244085 1.536955 0.372277
C -3.243517 -1.534796 0.380917
C 4.218152 0.530726 0.153798
C -4.217617 -0.529818 0.156992
C 3.871946 -0.636187 -0.580176
C -3.871455 0.633118 -0.583306
C 0.908151 2.448446 0.188207
C -0.907660 -2.447398 0.201270
C 6.636328 -0.081003 0.643479
C -6.635745 0.084606 0.643444
C 7.880511 0.484338 1.323542
C -7.880015 -0.476981 1.326453
C 0.544657 4.741270 0.906697
C -0.544005 -4.735863 0.933328
H 2.269030 -1.642084 -1.676988
H -2.268561 1.633154 -1.685514
H 3.487271 2.440846 0.941023
H -3.486613 -2.435552 0.954654
H 4.619925 -1.413953 -0.739910
H -4.619440 1.410003 -0.747234
H 5.637581 1.647306 1.177381
H -5.636993 -1.640781 1.186763
H 8.209777 -0.218745 2.107788
H 7.735285 1.480362 1.776554
H 8.694765 0.547441 0.581293
H -8.210151 0.231046 2.105852
H -7.734546 -1.469939 1.786060
H -8.693781 -0.545412 0.584128
H 1.179188 5.599595 1.167226
H -0.092223 4.440667 1.755649
H -0.093269 4.966735 0.036271
H -1.178448 -5.592701 1.198930
H 0.093228 -4.430584 1.780350
H 0.093571 -4.966208 0.063925


