%chk=000199209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199209

0 1
S -1.443205 -0.367905 1.614206
O -0.694676 -0.054253 -2.690535
O -5.472379 0.755327 -0.685936
O -4.822936 -1.297292 0.180310
O 1.905055 -3.487733 -1.036782
N -2.220758 -0.760654 -0.939235
N 0.941839 -1.525964 -0.232823
C -1.628301 -1.578529 0.145730
C -2.475937 1.038085 0.723570
C -3.110777 0.333685 -0.561900
C -0.362817 -1.808610 -0.768588
C -1.022732 -0.727955 -1.713880
C -3.517067 1.570363 1.726471
C -1.505993 2.151001 0.270760
C -4.520399 -0.195299 -0.306825
C 2.011693 -2.393636 -0.409903
C 3.347330 -1.960638 0.232428
C 3.428857 -0.528038 0.733396
C 3.639978 0.541746 -0.177703
C 3.278726 -0.224693 2.111582
C 3.702018 1.877257 0.277339
C 3.341022 1.111209 2.571115
C 3.552875 2.166664 1.654777
H -2.210093 -2.448843 0.472534
H -3.151188 1.070804 -1.381496
H -0.328825 -2.812230 -1.228981
H -4.150582 0.760236 2.125140
H -3.009088 2.053963 2.578800
H -4.162074 2.325474 1.239823
H -0.906576 2.511016 1.124411
H -0.808115 1.798163 -0.507802
H -2.076518 3.007624 -0.138363
H 1.076795 -0.663608 0.303844
H -6.387453 0.409982 -0.495986
H 4.118709 -2.161698 -0.532826
H 3.537497 -2.676919 1.053935
H 3.757774 0.324437 -1.246387
H 3.118360 -1.039243 2.828666
H 3.869879 2.689487 -0.438713
H 3.228592 1.325521 3.639787
H 3.606792 3.202098 2.009140


%chk=000199209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199209

0 1
S -1.373741 -0.272447 1.602725
O -0.772088 -0.225166 -2.755088
O -5.476460 0.716219 -0.615875
O -4.792002 -1.279422 0.363942
O 1.907969 -3.521844 -0.999489
N -2.235249 -0.818218 -0.896187
N 0.949933 -1.533686 -0.254595
C -1.604039 -1.568923 0.215427
C -2.425872 1.082251 0.656428
C -3.110755 0.299854 -0.554851
C -0.370788 -1.855841 -0.726107
C -1.066099 -0.837794 -1.716408
C -3.426380 1.690454 1.657355
C -1.464404 2.152464 0.095539
C -4.509206 -0.209063 -0.210266
C 2.023863 -2.395608 -0.433106
C 3.385741 -1.904921 0.106139
C 3.418627 -0.510167 0.707737
C 3.587957 0.631158 -0.120969
C 3.256257 -0.314982 2.104335
C 3.596632 1.931722 0.431373
C 3.264881 0.984467 2.660806
C 3.434941 2.112622 1.825358
H -2.173055 -2.417372 0.614251
H -3.184093 0.982976 -1.417824
H -0.347427 -2.886521 -1.122765
H -4.052141 0.915152 2.130687
H -2.885141 2.223949 2.457872
H -4.082195 2.418652 1.144709
H -0.830759 2.561735 0.900867
H -0.799445 1.739809 -0.682190
H -2.042504 2.985829 -0.349300
H 1.091024 -0.649362 0.243669
H -6.383164 0.386072 -0.367951
H 4.085261 -1.987166 -0.746071
H 3.710879 -2.663910 0.841592
H 3.716362 0.497370 -1.202119
H 3.127458 -1.185697 2.759015
H 3.734019 2.800169 -0.222576
H 3.142893 1.115157 3.741834
H 3.447611 3.120431 2.255177


