%chk=000121994.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121994

0 1
 I   -8.721300      -1.417000      -1.262400    
 S    6.499400      -1.274300     -1.5699999E-02
 O    6.529400      -2.172200      -1.381600    
 O    7.346300     -0.1141000     -0.2517000    
 O    6.750200      -2.158600       1.111700    
 O   -5.350500      -2.405400     -0.6747000    
 N  -0.8353000       2.298900      1.1700000E-02
 N   -5.714500     -0.3966000      0.4977000    
 C    2.199600      0.1788000      0.3669000    
 C    3.147200      0.9531000     -0.3441000    
 C   0.4960000       1.849300     -0.1076000    
 C   0.8780000      0.6409000      0.4757000    
 C    4.468800      0.4906000     -0.4530000    
 C    4.850900     -0.7177000      0.1309000    
 C    2.745100       2.166700     -0.9251000    
 C    2.601500      -1.035200      0.9478000    
 C    1.427800       2.610700     -0.8068000    
 C    3.918900      -1.479300      0.8297000    
 C   -2.063900       1.620900      0.1335000    
 C   -3.120000       2.206900      0.8331000    
 C   -2.227400      0.3609000     -0.4447000    
 C   -4.498100      0.2757000      0.3761000    
 C   -4.336100       1.534800      0.9545000    
 C   -3.443600     -0.3112000     -0.3235000    
 C   -6.062600      -1.656700     -1.0300000E-02
 C   -7.485700      -2.050100      0.3318000    
 H   0.1599000      5.2200001E-02   1.043600    
 H    5.195000       1.082700      -1.006300    
 H    3.456400       2.778200      -1.476500    
 H    1.889400      -1.647700       1.497000    
 H    1.141600       3.553400      -1.266500    
 H    4.191000      -2.427000       1.285700    
 H  -0.9255000       3.311000      1.0800000E-02
 H   -3.005900       3.187100       1.289300    
 H   -1.430300     -0.1099000      -1.013900    
 H   -5.149100       2.003900       1.502700    
 H   -3.493200      -1.279100     -0.8020000    
 H   -6.432500      0.1011000       1.019900    
 H    6.306700      -1.687600      -2.211100    
 H   -7.790700      -1.598400       1.281200    
 H   -7.522200      -3.136600      0.4635000    


%chk=000121994-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121994

0 1
I -9.100661 -0.607525 1.359106
S 6.699670 -1.108376 0.144834
O 6.655020 -2.013226 -1.485127
O 7.643101 0.196949 -0.015728
O 7.000029 -2.199819 1.303315
O -5.515028 -2.550325 -0.366101
N -0.878579 2.279534 -0.231718
N -5.875222 -0.366122 0.439686
C 2.204652 0.138369 0.197626
C 3.213704 1.055765 -0.299760
C 0.444952 1.808198 -0.243285
C 0.834820 0.537004 0.221243
C 4.583641 0.655637 -0.321655
C 4.906846 -0.609383 0.154095
C 2.795926 2.351463 -0.753058
C 2.617484 -1.152958 0.678402
C 1.456515 2.715972 -0.730678
C 3.957538 -1.538206 0.659982
C -2.089107 1.560549 -0.057405
C -3.206693 2.241591 0.499582
C -2.256990 0.212300 -0.473152
C -4.597411 0.237555 0.247738
C -4.444046 1.592449 0.642332
C -3.490132 -0.448207 -0.317814
C -6.257137 -1.654857 0.148700
C -7.694210 -2.088800 0.458813
H 0.096276 -0.150778 0.641814
H 5.363313 1.332877 -0.687336
H 3.548964 3.053962 -1.127075
H 1.859934 -1.844057 1.064081
H 1.151722 3.704792 -1.095392
H 4.285100 -2.512562 1.033718
H -0.982556 3.291610 -0.326413
H -3.100075 3.280944 0.832164
H -1.433196 -0.318472 -0.957662
H -5.291668 2.137725 1.075712
H -3.608698 -1.483249 -0.643486
H -6.601173 0.231690 0.852433
H 7.548704 -2.449639 -1.604544
H -7.671790 -2.926175 1.172268
H -8.182839 -2.411099 -0.472956


