%chk=000100788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100788

0 1
 S    1.590400       2.091400       1.178800    
 O   -1.506600     -0.3277000       1.188800    
 O   -3.525100      0.6496000      -1.613300    
 O  -0.9889000       2.354800      -1.126200    
 O   -2.885200      -2.781900       1.108800    
 O    4.561000     -0.8888000     -0.5847000    
 N    1.097200     -0.2106000      0.1109000    
 N    2.721200      -2.160800      -1.023900    
 C   -2.332700      0.3351000     -0.9186000    
 C   -1.759400       1.562900     -0.2438000    
 C   -2.592400     -0.5655000      0.2768000    
 C  -0.9577000      0.9815000      0.9200000    
 C   -2.650800      -2.040800     -7.5900003E-02
 C   0.5296000      0.8323000      0.6834000    
 C    2.462500     -8.8000000E-03  5.6699999E-02
 C    2.917400       1.180300      0.5870000    
 C    3.319500      -1.003000     -0.5249000    
 H   -1.611700     -9.2699997E-02  -1.625100    
 H   -2.570600       2.193000      0.1431000    
 H   -3.517600     -0.2814000      0.7953000    
 H   -1.124700       1.583200       1.821800    
 H   -1.698400      -2.379400     -0.4970000    
 H   -3.456100      -2.247400     -0.7871000    
 H   -3.889000     -0.1818000      -1.961900    
 H   -1.560200       2.597900      -1.874600    
 H   -2.916200      -3.720800      0.8582000    
 H    3.929400       1.553900      0.6564000    
 H    1.717000      -2.305700     -0.9907000    
 H    3.279700      -2.899300      -1.438500    


%chk=000100788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100788

0 1
S 1.581757 1.929608 1.492199
O -1.901874 -0.187622 1.370500
O -3.370945 0.709295 -1.855361
O -1.023238 2.542663 -0.906300
O -2.415374 -2.966119 1.032535
O 4.299409 -1.139660 -0.776544
N 0.838723 -0.215618 0.109822
N 2.266899 -2.207987 -1.221926
C -2.250704 0.340059 -0.984802
C -1.874021 1.608599 -0.193743
C -2.603024 -0.677674 0.125031
C -1.146408 1.046717 1.053394
C -2.138761 -2.116406 -0.123805
C 0.320789 0.775126 0.813015
C 2.243304 -0.156116 0.050490
C 2.820677 0.912767 0.719262
C 3.036031 -1.197092 -0.680111
H -1.375999 0.002389 -1.577293
H -2.822190 2.087635 0.128793
H -3.687042 -0.648779 0.344073
H -1.256214 1.719306 1.920297
H -1.055387 -2.105498 -0.365643
H -2.703082 -2.565751 -0.961017
H -3.532065 -0.001588 -2.524139
H -1.525193 2.883754 -1.689253
H -2.008929 -2.522549 1.822311
H 3.881810 1.139469 0.790707
H 1.255051 -2.202392 -1.091991
H 2.727597 -2.967036 -1.720702


