%chk=000032486.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032486

0 1
 S   -2.493800       2.301400      9.9999997E-05
 O    1.827100      0.5404000      5.0000002E-04
 O    5.086700     -0.7258000      9.9999997E-05
 O    4.321000       1.331500      8.9999998E-04
 O   -4.214600      -2.058200      2.3000001E-03
 N   -1.849900     -0.2022000     -1.2000001E-03
 N   -4.203600      0.3148000     -1.0000000E-03
 N    4.111800      8.2500003E-02  5.0000002E-04
 C   0.6420000     -0.1247000     -3.0000001E-04
 C  -0.6790000      0.5305000     -9.9999997E-05
 C   0.8509000      -1.484200     -1.0000000E-03
 C    2.803200     -0.4047000       0.000000    
 C    2.254500      -1.666000     -1.0000000E-03
 C  -0.8260000       1.901700      6.9999998E-04
 C   -2.869800      0.6271000     -1.1000000E-03
 C   -4.760500     -0.9642000      6.9999998E-04
 H   9.6299998E-02  -2.258600     -1.6000000E-03
 H    2.792700      -2.603400     -1.5000000E-03
 H  -6.6500001E-02   2.671400      1.4000000E-03
 H   -4.839800       1.107600     -1.4000000E-03
 H   -5.861000     -0.8811000      5.0000002E-04


%chk=000032486-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032486

0 1
S -2.493216 2.484491 0.000492
O 1.782985 0.572925 -0.000256
O 5.073948 -0.848845 0.001369
O 4.381770 1.345606 0.001976
O -4.137327 -2.086075 0.001764
N -1.868057 -0.134255 -0.000701
N -4.256953 0.290007 -0.000476
N 4.156400 0.072091 -0.000536
C 0.578269 -0.156495 -0.000562
C -0.661021 0.592436 -0.000292
C 0.848556 -1.528656 -0.001012
C 2.801831 -0.390026 -0.000677
C 2.272743 -1.677486 -0.001096
C -0.778267 1.978446 0.000334
C -2.911591 0.660465 -0.000363
C -4.786303 -1.022760 0.000329
H 0.092019 -2.309399 -0.001267
H 2.851877 -2.596875 -0.001430
H 0.018217 2.718585 0.000645
H -4.944543 1.047741 -0.001120
H -5.899637 -0.976120 0.000379


