%chk=000013525.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013525

0 1
 S  -0.8125000     -2.9899999E-02  0.6933000    
 S   -3.762300      -1.857800       1.271400    
 P   -2.832300     -0.4937000      0.2112000    
 O    3.738500      -1.403900      0.2600000    
 O   -3.648300      0.9229000      0.1711000    
 O   -2.876500     -0.8253000      -1.389400    
 O    1.488000       2.418600      0.3266000    
 N    2.100400      0.5771000     -0.9521000    
 C    3.532700      0.7257000     -0.8267000    
 C    4.068000     -2.5900001E-02  0.3784000    
 C  -0.2430000       1.060700     -0.6263000    
 C    1.194400       1.442000     -0.3609000    
 C    4.215200      -2.151000       1.370800    
 C   -3.887500       1.646600       1.366700    
 C   -2.274800      -2.006100      -1.894000    
 H    3.966100      0.3218000      -1.747600    
 H    3.784400       1.788700     -0.7559000    
 H    5.156600      8.9699998E-02  0.4289000    
 H    3.627200      0.3748000       1.299100    
 H    1.754900     -0.2158000      -1.485000    
 H  -0.3389000      0.5603000      -1.594300    
 H  -0.8537000       1.968100     -0.6512000    
 H    3.937400      -3.198400       1.225700    
 H    3.757000      -1.793900       2.298300    
 H    5.305400      -2.085000       1.438600    
 H   -4.119200       2.682200       1.105400    
 H   -3.008400       1.635000       2.015300    
 H   -4.743100       1.216400       1.892900    
 H   -1.331200      -2.215700      -1.384800    
 H   -2.077100      -1.866900      -2.959800    
 H   -2.958900      -2.849100      -1.769500    


%chk=000013525-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013525

0 1
S -1.112781 -1.186277 0.335759
S -4.617727 -1.029308 1.333645
P -3.251358 -0.411064 -0.080912
O 4.616350 -0.773498 0.161192
O -3.064117 1.264267 -0.444816
O -3.525851 -0.825170 -1.745058
O 0.438366 1.831677 0.510110
N 2.143216 0.433821 -0.236906
C 3.225921 1.160079 0.439513
C 4.139252 0.178073 1.176487
C -0.161136 -0.086867 -0.901612
C 0.820818 0.814031 -0.149367
C 5.478416 -1.813530 0.721161
C -2.828663 2.212476 0.682211
C -3.968425 -2.206078 -2.031874
H 3.823281 1.728950 -0.298908
H 2.762892 1.877639 1.138258
H 4.995223 0.717726 1.636052
H 3.581058 -0.361435 1.971853
H 2.420803 -0.404430 -0.753295
H 0.319470 -0.759118 -1.629988
H -0.908945 0.543116 -1.411008
H 5.773110 -2.459121 -0.120724
H 4.942556 -2.418954 1.482327
H 6.387201 -1.376243 1.184931
H -3.077356 3.195399 0.255228
H -1.765075 2.173452 0.972982
H -3.499159 1.983888 1.530666
H -3.169669 -2.933381 -1.794407
H -4.174339 -2.206701 -3.112260
H -4.884834 -2.451221 -1.465040


