%chk=000100420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100420

0 1
 S   -5.432500     -9.9799998E-02  0.5941000    
 O   -6.262000     -0.6850000     -0.4501000    
 O   -5.460300     -0.6593000       1.938300    
 N   0.2017000     -2.6600000E-02  -1.304800    
 N    3.864200      4.1000001E-02  0.7324000    
 N   -5.765300       1.573300      0.6896000    
 C    1.443600     -3.8000001E-03 -0.6139000    
 C    2.068400      -1.207100     -0.2709000    
 C    2.030300       1.221900     -0.2832000    
 C    3.294700      -1.136900      0.4114000    
 C    3.258200       1.197100      0.3996000    
 C   -1.125900     -4.4199999E-02 -0.8576000    
 C    1.501600      -2.453100     -0.5908000    
 C    1.424800       2.446300     -0.6156000    
 C    3.921700      -2.331500      0.7557000    
 C    3.847400       2.414200      0.7316000    
 C   -3.778100     -7.8699999E-02  3.6300000E-02
 C   -2.181000     -6.4400002E-02  -1.776600    
 C   -1.409900     -4.1400000E-02  0.5128000    
 C    2.148700      -3.632700     -0.2354000    
 C    2.034500       3.649300     -0.2722000    
 C   -3.502800     -8.1600003E-02  -1.331200    
 C   -2.731700     -5.8600001E-02  0.9583000    
 C    3.361200      -3.571500      0.4392000    
 C    3.248300       3.632700      0.4030000    
 H   0.3147000     -3.2299999E-02  -2.314300    
 H   0.5571000      -2.537200      -1.122000    
 H   0.4783000       2.495500      -1.147500    
 H    4.872900      -2.309900       1.284700    
 H    4.798700       2.427700       1.260700    
 H   -1.982000     -6.5300003E-02  -2.845600    
 H  -0.6149000     -2.4300000E-02   1.253800    
 H    1.709500      -4.593700     -0.4846000    
 H    1.565400       4.593600     -0.5309000    
 H   -4.302100     -9.0400003E-02  -2.067000    
 H   -2.923200     -4.9400002E-02   2.027600    
 H    3.874700      -4.486000      0.7210000    
 H    3.732700       4.565700      0.6755000    
 H   -5.856500       1.988600       1.624800    
 H   -6.406400       1.972500     -6.8000001E-03


%chk=000100420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100420

0 1
S -5.515267 -0.735211 0.393687
O -6.363467 -1.025179 -0.968281
O -5.459312 -1.762484 1.658008
N 0.182081 0.530554 -1.277111
N 3.965577 0.031081 0.726741
N -6.165151 0.864110 1.054615
C 1.404267 0.343649 -0.574270
C 1.823637 -0.943205 -0.110533
C 2.273861 1.467953 -0.402905
C 3.114762 -1.032177 0.570349
C 3.568305 1.246411 0.234810
C -1.122273 0.209307 -0.858164
C 1.074585 -2.153738 -0.322691
C 1.927811 2.804452 -0.810110
C 3.549491 -2.308655 1.075618
C 4.473969 2.355887 0.378322
C -3.758116 -0.342544 -0.102401
C -2.190376 0.366986 -1.791445
C -1.409366 -0.238404 0.464778
C 1.538620 -3.372950 0.163382
C 2.827793 3.855422 -0.647918
C -3.516972 0.095317 -1.415918
C -2.734775 -0.517750 0.844132
C 2.779458 -3.450722 0.885404
C 4.119333 3.627457 -0.060552
H 0.243097 1.107668 -2.118948
H 0.134517 -2.114736 -0.879737
H 0.932219 3.008207 -1.220096
H 4.511379 -2.333600 1.596412
H 5.439856 2.150356 0.849457
H -1.973627 0.693078 -2.815613
H -0.602339 -0.355014 1.192377
H 0.957404 -4.284854 -0.010739
H 2.546558 4.868583 -0.955221
H -4.342613 0.190515 -2.128022
H -2.968268 -0.879500 1.850497
H 3.121056 -4.417846 1.269783
H 4.815425 4.465352 0.054024
H -6.394939 0.720138 2.052863
H -6.989500 1.120788 0.484815


