%chk=000027508.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027508

0 1
 S   -2.846300     -0.2367000      0.2778000    
 O    1.977700      0.5596000     -0.5635000    
 N  -0.8404000       1.308000     -0.2138000    
 N   -2.924600       2.400800     -1.6600000E-02
 C  -0.3433000      1.4900000E-02 -0.1407000    
 C    1.005200     -0.3697000     -0.3055000    
 C   -1.295800     -0.9744000      0.1223000    
 C    1.359300      -1.718100     -0.2036000    
 C  -0.9471000      -2.330600      0.2259000    
 C   0.3943000      -2.684100      5.8699999E-02
 C    3.036100      0.6588000      0.3822000    
 C   -2.136900       1.292800     -1.0400000E-02
 C    3.561600       2.078600      0.3871000    
 H    2.392600      -2.028700     -0.3367000    
 H   -1.695200      -3.090400      0.4301000    
 H   0.6849000      -3.728800      0.1332000    
 H    2.690100      0.4004000       1.390900    
 H    3.836700     -3.2000002E-02  9.6199997E-02
 H    4.386300       2.188100       1.096900    
 H    3.913600       2.363300     -0.6099000    
 H    2.767200       2.782300      0.6571000    
 H   -3.924900       2.346500      0.1447000    
 H   -2.543700       3.326300     -0.1840000    


%chk=000027508-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027508

0 1
S -3.111447 -0.422971 -0.122408
O 1.754608 0.896873 0.194722
N -1.054429 1.345734 -0.008312
N -3.199232 2.384911 -0.176216
C -0.486391 0.060710 0.053283
C 0.908912 -0.215485 0.155400
C -1.401229 -1.039232 0.008295
C 1.340260 -1.563373 0.208976
C -0.982983 -2.382615 0.060861
C 0.403717 -2.626639 0.161955
C 3.205829 0.647318 0.301134
C -2.366483 1.294241 -0.099178
C 3.882694 2.015109 0.322044
H 2.405113 -1.798642 0.288061
H -1.697363 -3.209541 0.025071
H 0.766167 -3.659271 0.205052
H 3.416524 0.078005 1.230399
H 3.542771 0.043429 -0.567121
H 4.978800 1.895933 0.401546
H 3.654997 2.574353 -0.601227
H 3.529365 2.609326 1.181705
H -4.207301 2.288595 -0.243395
H -2.775501 3.310129 -0.162246


