%chk=000125216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125216

0 1
 S   -3.064500      -1.120800     -1.9900000E-02
 O    2.649900       1.069100     -2.1100000E-02
 O    1.877500      -1.659900       1.218800    
 O    1.994100      -1.797400      -1.073800    
 N   -1.500800      0.9375000      3.7000000E-03
 N    1.248900       1.118500     -1.0400000E-02
 N   -3.812600       1.431800      1.7300000E-02
 C  -0.7350000     -0.1939000     -1.5300000E-02
 C   0.7255000     -7.0000000E-02 -1.9099999E-02
 C   -1.372200      -1.398400     -3.1199999E-02
 C   -2.762400      0.5683000      2.7999999E-03
 C    1.613600      -1.286200     -4.1000001E-02
 C    3.138000       2.401700     -1.0700000E-02
 H  -0.9707000      -2.401900     -4.7600001E-02
 H   -3.677400       2.437300      3.0800000E-02
 H   -4.773200       1.105200      1.6000001E-02
 H    2.808400       2.920800      0.8947000    
 H    2.795000       2.939800     -0.8999000    
 H    4.230700       2.370500     -1.9200001E-02
 H    2.454700      -2.452100       1.258100    


%chk=000125216-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125216

0 1
S -3.180549 -1.227450 -0.260209
O 2.690618 1.076341 -0.004397
O 2.211237 -1.449878 1.302803
O 1.589269 -2.235471 -0.790749
N -1.571297 0.909901 0.072387
N 1.240939 1.139310 -0.024487
N -3.895123 1.476944 0.085501
C -0.741381 -0.222850 -0.051820
C 0.718129 -0.078066 0.014888
C -1.396817 -1.439290 -0.233771
C -2.848477 0.593257 -0.008210
C 1.537290 -1.347997 0.089730
C 3.206042 2.455567 -0.020599
H -0.963917 -2.422551 -0.399717
H -3.678467 2.460997 0.228810
H -4.861897 1.178326 0.005139
H 2.883528 3.000223 0.883678
H 2.859427 2.987830 -0.923609
H 4.301778 2.342425 -0.033541
H 2.767167 -2.277668 1.301170


