%chk=000113191.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113191

0 1
 S   -7.487200      -1.506600     -0.1857000    
 O    1.534200      -1.928600      5.9900001E-02
 O   -7.476900      -1.793300      -1.795500    
 O   -6.804100      -2.624700      0.4487000    
 O   -8.843900      -1.151000      0.2005000    
 O    9.210500     -6.9200002E-02  0.1859000    
 N   -2.972200      0.8130000      0.6400000    
 N   -2.362900      0.8229000     -0.4555000    
 N    3.136800      0.3454000      0.4120000    
 N    3.746500      0.3600000     -0.6831000    
 C   -6.505000     -8.0100000E-02  3.2499999E-02
 C   -4.354900      0.9370000      0.4217000    
 C   -5.132600     -0.2039000      0.2491000    
 C   0.9747000     -0.6868000      2.0800000E-02
 C  -0.9869000      0.6997000     -0.2387000    
 C    1.752900      0.4547000      0.1930000    
 C   -7.093000       1.184200     -1.0400000E-02
 C  -0.3979000     -0.5641000     -0.1956000    
 C   -4.936400       2.200600      0.3796000    
 C   -6.308600       2.324500      0.1630000    
 C  -0.2033000       1.840600     -6.5600000E-02
 C    1.169100       1.718000      0.1507000    
 C    5.123600      0.2515000     -0.4655000    
 C    7.870300      3.5999998E-02 -2.7600000E-02
 C    5.725900      -1.005600     -0.4202000    
 C    5.894500       1.401100     -0.2919000    
 C    7.099300      -1.113400     -0.2011000    
 C    7.267900       1.293300     -7.2999999E-02
 C    1.598400      -2.570500       1.331700    
 C    9.761200      -1.384900      0.2203000    
 H   -4.660000      -1.182300      0.2787000    
 H   -8.158200       1.306300     -0.1855000    
 H   -1.006500      -1.455100     -0.3319000    
 H   -4.332700       3.094200      0.5142000    
 H   -6.766000       3.309000      0.1277000    
 H    1.771300       2.612600      0.2853000    
 H  -0.6530000       2.829700     -9.8099999E-02
 H    5.132400      -1.906400     -0.5543000    
 H    5.434300       2.385100     -0.3259000    
 H    7.502200      -2.120200     -0.1775000    
 H    7.863300       2.192300      6.1400000E-02
 H   -6.591200      -1.982700      -2.185400    
 H   0.5920000      -2.728200       1.732500    
 H    2.194100      -1.979000       2.034000    
 H    2.078900      -3.543800       1.200000    
 H    9.645500      -1.894900     -0.7421000    
 H    9.353900      -1.970000       1.051800    
 H    10.83640      -1.280600      0.3995000    


%chk=000113191-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113191

0 1
S -7.839206 -1.135444 0.104693
O 1.137369 -2.734289 0.417870
O -7.961770 -1.390792 -1.734422
O -7.040070 -2.386714 0.746457
O -9.301235 -0.723290 0.663965
O 9.420605 0.323097 0.102735
N -3.100075 1.333027 -0.021690
N -2.585447 0.133494 0.088121
N 3.070406 -0.465085 0.183259
N 3.790303 0.630379 0.042764
C -6.730675 0.384961 -0.002232
C -4.533175 1.352598 -0.037041
C -5.351683 0.187350 0.022922
C 0.796710 -1.395648 0.271178
C -1.161160 0.092381 0.100255
C 1.667253 -0.255790 0.152199
C -7.367846 1.637904 -0.079402
C -0.607616 -1.196620 0.240465
C -5.132382 2.636553 -0.123170
C -6.536195 2.779220 -0.139660
C -0.303385 1.234755 -0.017093
C 1.073474 1.045990 0.009267
C 5.195467 0.429998 0.078140
C 8.025896 0.284036 0.106654
C 5.851151 -0.821820 0.264028
C 5.985188 1.605486 -0.090450
C 7.253242 -0.899661 0.279378
C 7.384099 1.537983 -0.077616
C 2.521434 -3.227358 0.485732
C 10.150149 -0.938110 0.283962
H -4.892178 -0.803302 0.097683
H -8.459562 1.712152 -0.077852
H -1.268014 -2.063276 0.329779
H -4.472211 3.508278 -0.169959
H -6.986707 3.774419 -0.201132
H 1.766254 1.888061 -0.078417
H -0.750772 2.226191 -0.124449
H 5.241455 -1.720457 0.395582
H 5.466734 2.559186 -0.231151
H 7.738996 -1.869196 0.424921
H 8.003830 2.429748 -0.206694
H -8.509193 -2.215335 -1.887855
H 3.052858 -2.795396 1.350250
H 3.076621 -2.978357 -0.434105
H 2.405721 -4.317086 0.596462
H 9.915648 -1.654865 -0.525823
H 9.923547 -1.393075 1.266912
H 11.212849 -0.660480 0.238980


