%chk=000127926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127926

0 1
 S    1.481200      -1.510200     -0.8265000    
 O    1.567400      -1.561200      -2.278900    
 O    1.795200      -2.692300     -3.8400002E-02
 N   -4.041200      0.1437000      0.6472000    
 N    5.227600       2.812400      0.7979000    
 C  -0.1402000      -1.035400     -0.3697000    
 C  -0.6646000      -1.364200      0.8804000    
 C   -2.754000     -0.2458000      0.3115000    
 C    2.597100     -0.2224000     -0.3427000    
 C   -1.960100     -0.9728000       1.218000    
 C  -0.9116000     -0.3153000      -1.282100    
 C   -2.207100      7.5999998E-02 -0.9443000    
 C   -4.907900      0.8901000     -0.2327000    
 C   0.1352000      -2.134500       1.879600    
 C   -6.229700       1.212000      0.4566000    
 C    3.167500     -0.2652000      0.9158000    
 C    2.873400      0.7978000      -1.233900    
 C    4.046000      0.7489000       1.297100    
 C    3.752000       1.811800     -0.8525000    
 C    4.338300       1.787300      0.4130000    
 C   -7.164100       2.039100     -0.4155000    
 H   -2.371600      -1.229800       2.192500    
 H  -0.5232000     -4.1499998E-02  -2.259100    
 H   -2.771900      0.6352000      -1.685500    
 H   -5.109800      0.3125000      -1.142800    
 H   -4.427600       1.832200     -0.5237000    
 H   -4.388100     -0.1235000       1.562000    
 H  -0.3921000      -2.156700       2.842900    
 H   0.2387000      -3.184900       1.593500    
 H    1.087900      -1.666400       2.110600    
 H   -6.037300       1.758100       1.388500    
 H   -6.734600      0.2803000      0.7401000    
 H    2.994800      -1.077000       1.610500    
 H    2.420700      0.8409000      -2.219500    
 H    4.503800      0.7141000       2.282500    
 H    3.970300       2.616800      -1.549600    
 H   -6.705300       2.996900     -0.6808000    
 H   -7.408500       1.506600      -1.340000    
 H   -8.098000       2.244300      0.1171000    
 H    5.651600       2.796200       1.715800    
 H    5.438400       3.566400      0.1577000    


%chk=000127926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127926

0 1
S 1.443505 -1.419261 -1.025377
O 1.407068 -1.205847 -2.653590
O 1.811514 -2.882758 -0.375116
N -4.147008 0.331001 0.641096
N 5.685640 2.404113 1.059126
C -0.254934 -0.845073 -0.410349
C -0.645166 -0.956440 0.950861
C -2.864355 -0.053085 0.270783
C 2.714019 -0.208663 -0.344516
C -1.958670 -0.548776 1.260656
C -1.116628 -0.376154 -1.415640
C -2.421818 0.027063 -1.084341
C -5.165184 0.820856 -0.294557
C 0.275535 -1.469839 2.042200
C -6.479100 1.143415 0.444178
C 3.548758 -0.634499 0.702565
C 2.858028 1.046576 -0.961962
C 4.543890 0.241208 1.173143
C 3.849174 1.923592 -0.486570
C 4.703708 1.535611 0.591218
C -7.573743 1.651204 -0.517260
H -2.295701 -0.620135 2.303303
H -0.754150 -0.348639 -2.449417
H -3.090235 0.390525 -1.869383
H -5.363205 0.061044 -1.081649
H -4.800978 1.733952 -0.812985
H -4.416504 0.229740 1.619439
H -0.280029 -1.632466 2.980661
H 0.756486 -2.415140 1.735911
H 1.084703 -0.743764 2.249369
H -6.281744 1.907297 1.222945
H -6.835991 0.232405 0.965792
H 3.432116 -1.644602 1.109922
H 2.222848 1.322145 -1.810359
H 5.208159 -0.075111 1.985937
H 3.976163 2.907066 -0.954180
H -7.253997 2.575863 -1.032585
H -7.805328 0.895457 -1.290433
H -8.508125 1.874412 0.027310
H 6.310771 2.128504 1.810882
H 5.819108 3.317703 0.635573


