%chk=000125924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125924

0 1
 S   -1.523700     -0.1297000       1.315400    
 O   -3.170700       2.123300     -0.3990000    
 O   -3.388300      -2.502500      0.8128000    
 O    1.824000       2.259500      0.8168000    
 N   0.8016000      0.3367000      5.2400000E-02
 N    3.198500      0.5377000      0.2709000    
 N    4.601500      -1.229600     -0.2919000    
 C   -2.773400      0.8250000     -0.8386000    
 C   -1.282800      0.8132000      -1.162800    
 C   -3.018600     -0.2067000      0.2643000    
 C  -0.5301000      0.8565000      0.1624000    
 C   -3.177400      -1.622600     -0.2770000    
 C   0.9768000     -0.9589000     -0.4123000    
 C    1.942400       1.105000      0.4023000    
 C    2.176100      -1.521900     -0.5470000    
 C    3.344300     -0.6848000     -0.1686000    
 H   -3.370000      0.5996000      -1.729300    
 H   -1.056900     -6.9100000E-02  -1.770900    
 H   -1.000300       1.682900      -1.768700    
 H  -0.5141000       1.882600      0.5442000    
 H   -3.876400      6.1299998E-02  0.8905000    
 H   -2.313500      -1.969800     -0.8527000    
 H   -4.055400      -1.682900     -0.9284000    
 H   -2.979000       2.747000      -1.120000    
 H   9.6000001E-02  -1.536100     -0.6664000    
 H   -2.602800      -2.454300       1.384100    
 H    2.318200      -2.532800     -0.9049000    
 H    4.747200      -2.175400     -0.6292000    
 H    5.427100     -0.6946000     -4.4799998E-02


%chk=000125924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125924

0 1
S -1.628618 -0.268312 1.410580
O -3.142286 2.178358 -0.176659
O -3.547762 -2.629881 0.568735
O 1.687139 2.386811 0.201519
N 0.842003 0.191262 0.077307
N 3.234122 0.634443 -0.050103
N 4.732648 -1.107128 -0.362109
C -2.788579 0.901270 -0.811559
C -1.283498 0.816148 -1.124053
C -3.125981 -0.196848 0.214980
C -0.515376 0.746994 0.214196
C -3.366888 -1.576951 -0.427260
C 1.066990 -1.151624 -0.129189
C 1.961658 1.159800 0.085594
C 2.343946 -1.647714 -0.300565
C 3.428276 -0.688648 -0.236807
H -3.388283 0.753426 -1.736798
H -1.080101 -0.092619 -1.721956
H -0.934425 1.686490 -1.711025
H -0.395269 1.746292 0.656601
H -3.990882 0.108733 0.824965
H -2.534515 -1.826502 -1.122258
H -4.312945 -1.566362 -0.997542
H -2.830624 2.927115 -0.746102
H 0.183145 -1.797225 -0.112606
H -2.747386 -2.627007 1.160898
H 2.513974 -2.716087 -0.446533
H 4.974909 -2.084715 -0.496739
H 5.464908 -0.400921 -0.301911


