%chk=000100774.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100774

0 1
 S   0.3216000       1.211700      9.9999997E-05
 O   -4.750800       1.702700     -7.9999998E-04
 O  -0.6508000      -3.109800     -1.0000000E-03
 C   -1.520700     -0.9181000      6.9999998E-04
 C   -1.289300      0.4618000      3.0000001E-04
 C    1.363400     -0.1559000     -9.9999997E-05
 C  -0.4187000      -1.904600      1.9999999E-04
 C    2.781300      0.1599000       0.000000    
 C   0.9846000      -1.438100      9.9999997E-05
 C   -2.392200       1.332800      3.9999999E-04
 C   -2.837300      -1.408300      1.1000000E-03
 C   -3.697800      0.8409000      5.0000002E-04
 C   -3.920000     -0.5305000      1.0000000E-03
 C    3.464100      0.3117000      -1.208000    
 C    3.463900      0.3127000       1.207900    
 C    4.825500      0.6155000      -1.208100    
 C    4.825300      0.6166000       1.207800    
 C    5.506100      0.7680000     -1.9999999E-04
 C   -6.058100       1.131100     -1.7000000E-03
 H    1.727500      -2.233400      9.9999997E-05
 H   -2.242900       2.411700     -1.9999999E-04
 H   -3.040600      -2.476500      1.3000000E-03
 H   -4.905000     -0.9844000      1.2000001E-03
 H    2.949500      0.1958000      -2.159100    
 H    2.949300      0.1977000       2.159100    
 H    5.355700      0.7332000      -2.148600    
 H    5.355400      0.7352000       2.148200    
 H    6.566100       1.004500     -1.9999999E-04
 H   -6.242000      0.5487000     -0.9110000    
 H   -6.773400       1.960200     -3.0000000E-03
 H   -6.243800      0.5499000      0.9079000    


%chk=000100774-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100774

0 1
S 0.297344 1.201340 0.004989
O -4.780237 1.739004 -0.001089
O -0.681207 -3.254504 -0.002888
C -1.536680 -0.998356 0.002678
C -1.351344 0.414896 0.003277
C 1.407814 -0.234479 0.002486
C -0.431256 -1.998520 0.004572
C 2.853261 0.148771 0.001021
C 0.964061 -1.530995 0.001945
C -2.449452 1.298899 0.002075
C -2.873247 -1.484553 0.000499
C -3.763537 0.780798 0.000033
C -3.980669 -0.626456 -0.000785
C 3.544538 0.328182 -1.225320
C 3.546717 0.329793 1.225898
C 4.914360 0.673268 -1.224614
C 4.916551 0.674812 1.222308
C 5.602899 0.847690 -0.001879
C -6.170206 1.265329 -0.003331
H 1.714047 -2.331009 0.000020
H -2.314848 2.384682 0.002545
H -2.996325 -2.572888 0.000160
H -4.991856 -1.041979 -0.002340
H 3.008814 0.190902 -2.170773
H 3.012687 0.193742 2.172487
H 5.441917 0.804625 -2.175616
H 5.445817 0.807351 2.172197
H 6.665179 1.115618 -0.003000
H -6.388164 0.668821 -0.909464
H -6.780209 2.179725 -0.003923
H -6.390871 0.668189 0.901729


