%chk=000094970.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094970

0 1
 S   -1.048300     -0.9931000     -1.3000000E-03
 O  -0.1068000      0.3465000      1.2000001E-03
 O  -0.8712000      -1.693600       1.262700    
 O  -0.8401000      -1.676400      -1.271500    
 O    6.043900     -0.9022000      9.9999997E-05
 O    6.096700       1.292500      2.4999999E-03
 N    5.462400      0.2098000      1.2000001E-03
 C   -2.684000     -0.3828000     -1.9999999E-04
 C   -5.297500      0.5931000       0.000000    
 C   -3.337000     -0.1368000      -1.208200    
 C   -3.338000     -0.1409000       1.207900    
 C   -4.643600      0.3513000      -1.208000    
 C   -4.644900      0.3470000       1.208000    
 C    1.266600      0.3130000      1.2000001E-03
 C    1.921300     -0.9117000     -1.1000000E-03
 C    1.981200       1.503600      3.0000000E-03
 C   -6.695000       1.114300      3.9999999E-04
 C    4.042900      0.2438000      5.0000002E-04
 C    3.315700     -0.9463000     -1.3000000E-03
 C    3.375700       1.468800      2.7999999E-03
 H   -2.845400     -0.3107000      -2.161100    
 H   -2.847900     -0.3170000       2.161200    
 H   -5.141800      0.5390000      -2.155400    
 H   -5.144100      0.5316000       2.155500    
 H    1.414800      -1.869200     -8.9999998E-04
 H    1.464300       2.458900      4.6999999E-03
 H   -6.883100       1.739600      0.8798000    
 H   -6.885200       1.736200     -0.8810000    
 H   -7.406100      0.2824000      2.7999999E-03
 H    3.802600      -1.918300     -2.4999999E-03
 H    3.909000       2.416000      4.4999998E-03


%chk=000094970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094970

0 1
S -1.095653 -1.053544 -0.719249
O -0.084448 0.511920 0.043790
O -0.772527 -2.336629 0.220097
O -0.834808 -1.108542 -2.318149
O 6.099284 -0.594819 1.113894
O 6.233807 0.876279 -0.625633
N 5.561270 0.167202 0.219859
C -2.797126 -0.380265 -0.356035
C -5.356876 0.608475 0.171535
C -3.430474 0.377396 -1.354441
C -3.369523 -0.664751 0.894388
C -4.723655 0.867561 -1.074063
C -4.663611 -0.160970 1.144653
C 1.294498 0.371037 0.060615
C 1.925164 -0.463009 1.029652
C 2.072723 1.114577 -0.872243
C -6.758382 1.117578 0.446596
C 4.081610 0.233006 0.160823
C 3.326775 -0.534099 1.079732
C 3.474848 1.058916 -0.814774
H -2.939107 0.564911 -2.314084
H -2.833601 -1.265856 1.635168
H -5.245678 1.460966 -1.832801
H -5.139043 -0.367374 2.109889
H 1.303162 -1.036482 1.722736
H 1.556580 1.730329 -1.614400
H -6.920617 1.300987 1.522527
H -6.965703 2.054556 -0.098044
H -7.513376 0.375343 0.122462
H 3.846604 -1.161118 1.808458
H 4.104981 1.624820 -1.505460


