%chk=000092808.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092808

0 1
 S  -0.4785000     -0.9587000     -0.9474000    
 S    3.430100      0.2509000      0.6311000    
 P   -2.259500     -0.9301000      0.1610000    
 O   -2.700500      0.5846000      0.5396000    
 O   -2.133600      -1.794700       1.387600    
 C   0.7938000     -0.3644000      0.1845000    
 C    2.146600     -0.3401000     -0.5127000    
 C   -3.590500      -1.509700     -0.8914000    
 C   -2.891300       1.562100     -0.4673000    
 C    4.851700      0.1036000     -0.4748000    
 C   -3.290000       2.852900      0.1612000    
 C    6.121700      0.5436000      0.2286000    
 H   0.8136000      -1.027600       1.055900    
 H   0.5085000      0.6370000      0.5240000    
 H    2.122200      0.3293000      -1.379700    
 H    2.422200      -1.344800     -0.8515000    
 H   -3.634500     -0.9519000      -1.830300    
 H   -3.440900      -2.565500      -1.135000    
 H   -4.551100      -1.408900     -0.3787000    
 H   -1.962700       1.690600      -1.030800    
 H   -3.673700       1.232100      -1.155900    
 H    4.954000     -0.9374000     -0.7974000    
 H    4.688500      0.7266000      -1.359800    
 H   -3.445300       3.629500     -0.5932000    
 H   -4.214200       2.737800      0.7377000    
 H   -2.523800       3.198300      0.8635000    
 H    6.064500       1.590700      0.5450000    
 H    6.329800     -7.5400002E-02   1.108100    
 H    6.975500      0.4500000     -0.4508000    


%chk=000092808-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000092808

0 1
S -0.461098 1.127443 -2.073731
S 4.004384 0.361807 -1.369332
P -1.035064 -0.399108 -0.418422
O -2.120418 0.404560 0.689377
O 0.236616 -0.977814 0.357527
C 1.364926 1.307897 -1.492316
C 2.263560 0.235773 -2.110200
C -2.095156 -1.663256 -1.284498
C -3.079924 1.441998 0.223651
C 3.735978 -0.687652 0.207227
C -3.668760 2.073690 1.482699
C 4.612501 -0.154499 1.348229
H 1.358843 1.237054 -0.392476
H 1.655279 2.327311 -1.792827
H 2.373917 0.363530 -3.199213
H 1.882897 -0.776464 -1.899194
H -2.916618 -1.162391 -1.820569
H -1.469650 -2.214215 -2.003156
H -2.500482 -2.353686 -0.527636
H -2.542157 2.184903 -0.396824
H -3.870501 0.965119 -0.391905
H 2.662052 -0.639456 0.455289
H 3.993164 -1.729308 -0.049689
H -4.400515 2.854877 1.204701
H -4.180931 1.315066 2.098175
H -2.872421 2.535440 2.089864
H 5.684513 -0.163941 1.079048
H 4.333942 0.881318 1.609416
H 4.483726 -0.785597 2.247884


