%chk=000028520.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028520

0 1
 S   0.2665000       2.445700      9.9999997E-05
 O   -3.407900     -3.4100000E-02 -9.9999997E-05
 O   -2.096200      -1.794300     -6.9999998E-04
 N   -2.260000     -0.5475000       0.000000    
 C   0.2411000     -0.1398000      3.0000001E-04
 C    1.120300      0.9476000     -9.9999997E-05
 C   -1.125900      0.2976000      1.9999999E-04
 C   0.7906000      -1.444700      6.0000003E-04
 C    2.517200      0.7654000     -6.0000003E-04
 C   -1.249600       1.666700      3.0000001E-04
 C    2.175800      -1.628800      6.0000003E-04
 C    3.028100     -0.5339000     -5.0000002E-04
 H   0.1726000      -2.336800      1.1000000E-03
 H    3.192100       1.616700     -1.0000000E-03
 H   -2.151100       2.264400      3.0000001E-04
 H    2.586000      -2.634900      1.0000000E-03
 H    4.103900     -0.6870000     -7.9999998E-04


%chk=000028520-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028520

0 1
S 0.278089 2.539627 -0.000366
O -3.471717 0.008517 -0.000164
O -2.130399 -1.839496 -0.000042
N -2.306582 -0.556187 0.000690
C 0.256454 -0.164229 0.000197
C 1.162037 0.943865 -0.000177
C -1.126645 0.302468 0.000321
C 0.795912 -1.479983 0.000389
C 2.560107 0.782299 -0.000360
C -1.277586 1.678662 0.000027
C 2.193025 -1.648706 0.000212
C 3.071585 -0.532320 -0.000171
H 0.118331 -2.335452 0.000674
H 3.232343 1.645820 -0.000641
H -2.215965 2.228532 0.000051
H 2.609514 -2.661213 0.000358
H 4.154997 -0.689903 -0.000298


