%chk=000185403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185403

0 1
S -0.807732 -0.050936 1.181730
O -1.242453 -1.144493 2.007708
O -0.657350 1.259983 1.775603
O 0.046332 2.212749 -0.399946
O 2.144751 2.716005 0.310905
O -1.819174 -1.867379 -0.960987
N -2.029376 0.218984 -0.037697
N -3.458652 -0.508582 -1.829558
C 0.603524 -0.515061 0.293539
C 1.524820 0.415910 -0.204499
C 0.821017 -1.878394 0.075441
C 2.669467 -0.006947 -0.883640
C 1.963966 -2.310201 -0.613707
C 2.887018 -1.378276 -1.085898
C 1.332839 1.893387 -0.029780
C -2.414039 -0.799390 -0.934910
C -0.400709 3.566541 -0.095731
H 0.086262 -2.617884 0.430292
H 3.393293 0.724616 -1.249815
H 2.121713 -3.376642 -0.780492
H -2.384264 1.174842 -0.169627
H 3.781168 -1.709859 -1.617209
H 0.426606 4.279727 -0.181661
H -0.792611 3.537625 0.931796
H -1.177148 3.750215 -0.841255
H -3.818640 -1.283127 -2.374819
H -4.125528 0.220784 -1.640981


%chk=000185403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185403

0 1
S -0.916524 -0.228456 1.214521
O -1.325650 -1.600814 1.957793
O -0.776863 1.140617 2.072209
O -0.018566 2.228345 -0.434652
O 2.210110 2.744667 0.029844
O -1.998817 -1.875553 -1.165764
N -2.222234 0.165685 -0.010811
N -3.714018 -0.381578 -1.722884
C 0.674891 -0.595046 0.203374
C 1.546745 0.420888 -0.246723
C 0.945993 -1.964239 0.070519
C 2.775544 0.002507 -0.824680
C 2.160891 -2.350666 -0.538802
C 3.077167 -1.366438 -0.974138
C 1.310540 1.899086 -0.170036
C -2.605340 -0.783033 -0.986254
C -0.398615 3.642895 -0.186202
H 0.224960 -2.697308 0.443117
H 3.478642 0.775591 -1.150490
H 2.388348 -3.414172 -0.660811
H -2.328357 1.176909 -0.138424
H 4.026847 -1.664928 -1.429617
H 0.445344 4.311377 -0.418464
H -0.680103 3.733337 0.876177
H -1.255539 3.841448 -0.846570
H -4.012825 -0.996767 -2.477113
H -4.337472 0.359842 -1.410317


