%chk=000133114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133114

0 1
 S    4.077300      -1.146500      0.2149000    
 O   -1.374400      -2.522000     -0.4279000    
 O   -4.269800       1.221300      0.3102000    
 O   -3.906900      -1.514000      6.3400000E-02
 O    5.666200      -1.243100     -0.1371000    
 O    2.133100       1.285900      -1.873200    
 O   0.3602000       3.180300     -0.3579000    
 O    3.321200      -1.605700     -0.9321000    
 O    3.864200      -1.687800       1.541100    
 N    2.623100       1.155800      0.4220000    
 C    3.981900      0.6358000      0.2895000    
 C  -0.6907000       1.045600     -0.3013000    
 C    1.834500       1.428300     -0.6933000    
 C   0.4636000       1.964200     -0.4301000    
 C   -1.943800       1.573900     -5.6100000E-02
 C  -0.4833000     -0.3145000     -0.4275000    
 C   -1.570600      -1.179600     -0.3042000    
 C   -3.031000      0.7088000      6.7400001E-02
 C   -2.844500     -0.6679000     -5.6600001E-02
 C    2.130500       1.376300       1.779400    
 C   -1.072200      -3.245300      0.7635000    
 C   -4.648800       1.380700       1.675800    
 C   -4.619900      -1.830500      -1.129900    
 H    4.600700      0.9849000       1.121100    
 H    4.402300       1.004400     -0.6523000    
 H   -2.100300       2.644500      4.2399999E-02
 H   0.4965000     -0.7392000     -0.6210000    
 H    1.140000       1.827400       1.829400    
 H    2.098800      0.4127000       2.296000    
 H    2.831000       2.038000       2.298300    
 H    6.278900      -1.000900      0.5967000    
 H   -1.886600      -3.151600       1.488900    
 H  -0.9553000      -4.300900      0.5032000    
 H  -0.1351000      -2.886900       1.201700    
 H   -3.974300       2.078800       2.181800    
 H   -5.662100       1.790400       1.704500    
 H   -4.646900      0.4155000       2.191700    
 H   -3.963400      -2.328100      -1.850700    
 H   -5.434600      -2.512400     -0.8712000    
 H   -5.048500     -0.9266000      -1.574100    


%chk=000133114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133114

0 1
S 3.863170 -1.206694 0.884685
O -1.685164 -2.436516 -0.022236
O -4.378355 1.639723 0.173000
O -4.225358 -1.150984 0.083527
O 4.612478 -1.921256 -0.683044
O 2.078807 0.937511 -1.612104
O 0.469769 3.318242 0.043611
O 2.258089 -1.515051 0.910827
O 4.740602 -1.756385 2.138205
N 2.870433 1.518809 0.521308
C 4.078083 0.920543 0.250758
C -0.710930 1.191928 -0.096609
C 1.834264 1.418890 -0.479630
C 0.474267 2.057128 -0.133776
C -1.990031 1.787681 0.057986
C -0.582200 -0.224822 -0.144593
C -1.727091 -1.037673 -0.052225
C -3.139098 0.984928 0.126349
C -3.030753 -0.443066 0.035180
C 2.557518 1.990535 1.896138
C -0.364116 -3.079489 -0.158902
C -5.292430 1.298382 1.285787
C -4.402090 -2.390760 -0.709994
H 4.925084 1.181462 0.893366
H 4.272358 0.696598 -0.804761
H -2.090739 2.875466 0.102508
H 0.409932 -0.681454 -0.208336
H 2.021616 2.948664 1.844535
H 1.938739 1.242657 2.423444
H 3.498859 2.130218 2.450224
H 4.874539 -2.867803 -0.489751
H 0.331315 -2.754344 0.635532
H -0.568612 -4.156691 -0.074197
H 0.080862 -2.852222 -1.145834
H -4.819820 1.546492 2.255771
H -6.176576 1.934003 1.128031
H -5.569644 0.232306 1.257074
H -3.853047 -3.227064 -0.254342
H -5.488450 -2.566433 -0.694574
H -4.055280 -2.233459 -1.746540


