%chk=000050491.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050491

0 1
 S    2.969900       1.586700      2.4000000E-02
 O    2.990700       2.850300     -0.6865000    
 O    3.802600       1.387800       1.195700    
 O    3.349900      -2.714400      0.3338000    
 O  -0.7134000      -1.424900       1.085700    
 O  -0.2548000      -1.296200      -1.175200    
 O   -2.852800      -1.358100     -7.0000002E-03
 O   -2.969900      0.3046000       1.579400    
 N    2.331100     -0.7520000     -0.4865000    
 C    1.223400       1.152600      0.4547000    
 C    3.201800      0.2437000      -1.130200    
 C    1.276000     -0.3873000      0.4398000    
 C    4.350300     -0.7587000     -0.9661000    
 C    3.316700      -1.668300     -0.2734000    
 C   0.2810000       1.754300     -0.5993000    
 C   0.8736000       1.701000       1.838700    
 C   2.8899999E-02  -1.080700     -4.8000002E-03
 C   -1.949900      -2.108300      0.8216000    
 C   -4.249100      0.5093000     -0.4923000    
 C   -3.288900     -0.1636000      0.4933000    
 C   -5.457300     -0.4069000     -0.7292000    
 C   -4.739600       1.841300      9.7499996E-02
 C   -3.520400      0.7878000      -1.813700    
 H    2.893200      0.4731000      -2.153800    
 H    1.578200     -0.7861000       1.417100    
 H    5.176600     -0.4480000     -0.3227000    
 H    4.740600      -1.172300      -1.899900    
 H   0.5119000       1.396800      -1.608200    
 H  -0.7606000       1.507800     -0.3757000    
 H   0.3546000       2.847500     -0.6174000    
 H   0.9687000       2.792200       1.864100    
 H  -0.1545000       1.442800       2.114400    
 H    1.535400       1.299700       2.613600    
 H   -2.434300      -2.332400       1.778300    
 H   -1.736500      -3.061900      0.3265000    
 H   -6.198900      7.4199997E-02  -1.376600    
 H   -5.949000     -0.6630000      0.2163000    
 H   -5.163200      -1.347900      -1.207700    
 H   -5.428800       2.349400     -0.5862000    
 H   -3.902100       2.520800      0.2943000    
 H   -5.264300       1.686000       1.047400    
 H   -2.661100       1.448200      -1.662300    
 H   -4.187300       1.270500      -2.537000    
 H   -3.146900     -0.1339000      -2.273500    


%chk=000050491-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050491

0 1
S 2.625766 1.292245 -1.223973
O 1.756000 1.631585 -2.566554
O 3.888476 2.245053 -0.781738
O 4.389728 -1.333111 1.897398
O -0.828308 -1.330080 0.895399
O 0.289836 -1.810512 -1.109344
O -2.881425 -1.045922 -0.320680
O -4.016340 -0.546110 1.661633
N 2.703419 -1.025513 0.153564
C 1.360709 1.034338 0.448865
C 3.212592 -0.644030 -1.154838
C 1.420104 -0.523114 0.679217
C 4.665964 -0.814708 -0.655523
C 4.020745 -1.119547 0.736342
C 0.026997 1.614609 -0.004608
C 2.056564 1.805008 1.568931
C 0.266889 -1.289337 0.021555
C -2.054143 -1.996601 0.399250
C -4.662728 0.614816 -0.455114
C -3.869752 -0.342434 0.441946
C -5.349274 -0.208832 -1.585618
C -5.725629 1.336611 0.407306
C -3.681240 1.647219 -1.085245
H 2.782774 -1.098086 -2.055168
H 1.394972 -0.709805 1.767075
H 5.245912 0.125710 -0.655471
H 5.244658 -1.634578 -1.106356
H -0.292011 1.216632 -0.983766
H -0.753495 1.380759 0.743320
H 0.101763 2.710923 -0.102691
H 2.388076 2.797480 1.216880
H 1.345874 1.946712 2.405661
H 2.948300 1.281755 1.953864
H -2.555530 -2.356422 1.309415
H -1.785895 -2.776998 -0.327142
H -5.927086 0.477834 -2.230473
H -6.048832 -0.956365 -1.169349
H -4.603611 -0.731707 -2.206903
H -6.299206 2.036239 -0.226522
H -5.257844 1.909502 1.226700
H -6.429372 0.617847 0.861725
H -3.176032 2.248274 -0.306990
H -4.252088 2.338817 -1.730444
H -2.914777 1.147343 -1.700536


