%chk=000118811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118811

0 1
S -2.459865 -1.128850 1.597360
S 0.723886 -0.068589 -0.697111
O -1.744963 2.547523 -4.456354
O -3.670598 3.219508 -3.524415
O 4.746196 1.710035 3.448942
O 3.272285 0.071344 3.874141
N -3.015867 0.704922 -0.176285
N 2.806732 -0.963593 0.571533
C -2.034085 0.404895 0.786674
C -4.022448 -0.293443 -0.321521
C 1.632624 -0.329259 0.808203
C 3.059449 -1.207729 -0.819891
C -2.964865 1.898955 -1.042359
C 3.802566 -1.327888 1.635100
C -0.045483 0.774109 2.230113
C -3.873484 -1.365653 0.591269
C 1.999828 -0.784416 -1.652852
C -0.933297 1.107985 1.103344
C 1.119505 0.107894 2.040038
C -0.474305 1.293845 3.569123
C -2.235698 1.601857 -2.364072
C 4.712828 -0.162873 1.974467
C -5.087267 -0.281693 -1.230248
C 4.208816 -1.795523 -1.372329
C -4.770316 -2.421906 0.620595
C 2.055700 -0.946143 -3.034674
C -5.988768 -1.351428 -1.195838
C 4.259166 -1.953652 -2.755430
C 0.262028 0.684086 4.755033
C -5.837509 -2.407542 -0.287795
C 3.195953 -1.537491 -3.579583
C -2.675089 2.541172 -3.444405
C 4.199581 0.632911 3.232811
H -4.009410 2.250681 -1.245515
H -2.460709 2.732403 -0.498532
H 4.368772 -2.217967 1.292204
H 3.232995 -1.622203 2.566682
H -0.675939 2.046596 0.603468
H 1.805220 -0.051188 2.954912
H -0.309675 2.399508 3.568126
H -1.571159 1.166916 3.698972
H -1.131132 1.650003 -2.232651
H -2.428592 0.554347 -2.698345
H 5.729102 -0.516168 2.222922
H 4.846695 0.553680 1.149910
H -5.223130 0.532646 -1.938111
H 5.039869 -2.107075 -0.738511
H -4.653407 -3.242713 1.328582
H 1.236076 -0.617891 -3.673507
H -6.828702 -1.359735 -1.893332
H 5.142410 -2.405764 -3.212230
H 0.035499 1.215030 5.685000
H 1.370765 0.732383 4.630452
H 0.014482 -0.372117 4.899392
H -6.556874 -3.225456 -0.285383
H 3.270951 -1.676940 -4.658986
H -1.995042 3.154254 -5.207503


%chk=000118811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118811

0 1
S -3.628961 -0.529431 2.308063
S 1.151091 -0.596329 -1.217613
O -1.183047 -0.101350 -4.466537
O -2.634322 1.691771 -4.196309
O 4.102277 2.582427 3.530977
O 2.979194 0.550987 3.744465
N -3.328465 0.507023 -0.117926
N 3.285622 -0.528244 0.354439
C -2.539831 0.016047 0.939263
C -4.729001 0.407725 0.050737
C 1.897754 -0.511082 0.463406
C 3.803083 -0.513406 -0.961586
C -2.745891 1.072138 -1.348445
C 4.211860 -0.584356 1.522093
C -0.204931 -0.429244 1.922246
C -5.098430 -0.129331 1.310996
C 2.802426 -0.568008 -1.966244
C -1.146051 -0.048003 0.906553
C 1.189686 -0.502229 1.677681
C -0.701941 -0.712875 3.339659
C -2.467244 -0.011711 -2.420947
C 4.702344 0.797811 2.010472
C -5.730404 0.781505 -0.875795
C 5.166946 -0.460128 -1.335020
C -6.441473 -0.295472 1.681447
C 3.115974 -0.590210 -3.334229
C -7.084259 0.615371 -0.507743
C 5.490152 -0.476998 -2.707982
C 0.348129 -1.089569 4.403292
C -7.442791 0.084591 0.755066
C 4.481325 -0.545899 -3.702086
C -2.133201 0.635505 -3.751109
C 3.841562 1.369084 3.198235
H -3.442252 1.822552 -1.756548
H -1.819269 1.613955 -1.095857
H 5.045410 -1.239270 1.213494
H 3.687598 -1.062457 2.366646
H -0.711951 0.313370 -0.030906
H 1.842065 -0.447973 2.574005
H -1.271041 0.172689 3.694632
H -1.445385 -1.538179 3.272322
H -1.659167 -0.696025 -2.120284
H -3.378839 -0.623716 -2.568446
H 5.739493 0.704693 2.386803
H 4.727981 1.545247 1.197228
H -5.477619 1.191050 -1.858270
H 5.954260 -0.385400 -0.580616
H -6.711288 -0.705830 2.659163
H 2.328414 -0.640308 -4.092178
H -7.867207 0.903110 -1.216787
H 6.541988 -0.429366 -3.007847
H -0.161809 -1.270143 5.367150
H 1.101168 -0.295681 4.548844
H 0.885402 -2.016457 4.129062
H -8.497798 -0.034815 1.019892
H 4.757497 -0.558518 -4.761122
H -1.024530 0.335961 -5.348299


