%chk=000137398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137398

0 1
 S   -1.501800      6.4099997E-02  9.3400002E-02
 O  -0.5769000       2.475400     -0.3940000    
 N    5.150900     -0.1538000      0.5906000    
 N    6.965900      -1.480500     -4.2500000E-02
 N    5.005700      -1.796300      -1.167800    
 C   -4.244300      0.1547000     -0.1124000    
 C   -3.010300       1.008500     -0.2122000    
 C    1.139000      0.9377000      8.4899999E-02
 C    2.136300       1.591900     -0.6383000    
 C    1.477700     -7.9899997E-02  0.9768000    
 C   -4.886300      1.9200001E-02   1.111600    
 C   -4.726800     -0.4875000      -1.245400    
 C  -0.2540000       1.316400     -9.1200002E-02
 C    3.811200      0.2108000      0.4223000    
 C    3.472300       1.228400     -0.4696000    
 C    2.813800     -0.4434000       1.145600    
 C   -6.031000     -0.7725000       1.204300    
 C   -5.871500      -1.279000      -1.152600    
 C   -6.523600      -1.421600      7.2200000E-02
 C    5.653500      -1.092600     -0.1757000    
 H   -2.958200       1.465700      -1.207400    
 H   -3.074000       1.834600      0.5060000    
 H    1.891100       2.384300      -1.340800    
 H   0.7378000     -0.5974000       1.580000    
 H   -4.511100      0.5194000       2.000100    
 H   -4.226600     -0.3843000      -2.204400    
 H    4.242300       1.743500      -1.038100    
 H    3.068900      -1.233300       1.847300    
 H   -6.538600     -0.8838000       2.158000    
 H   -6.255100      -1.784700      -2.033900    
 H   -7.414700      -2.038100      0.1444000    
 H    7.571300      -1.051200      0.6487000    
 H    7.366600      -2.205300     -0.6277000    
 H    5.489900      -2.506400      -1.706500    
 H    4.031600      -1.633400      -1.396900    


%chk=000137398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137398

0 1
S -1.478926 0.706784 1.486714
O -1.108884 2.000547 -0.910591
N 5.007462 -0.128313 -0.486035
N 6.949103 -1.403986 -0.392680
N 4.900036 -2.512085 -0.055974
C -4.137484 0.431607 0.447625
C -3.193019 1.439966 1.056368
C 0.882706 0.889357 -0.093698
C 1.670442 1.355535 -1.188981
C 1.503865 0.067141 0.885640
C -5.085160 -0.255096 1.249633
C -4.097155 0.165062 -0.946939
C -0.537555 1.300360 -0.032529
C 3.645714 0.151373 -0.342472
C 3.020409 1.003537 -1.306397
C 2.854759 -0.297753 0.767976
C -5.973750 -1.191106 0.674043
C -4.984171 -0.770182 -1.522717
C -5.925449 -1.452016 -0.714941
C 5.565655 -1.309218 -0.295421
H -2.963460 2.263196 0.358483
H -3.561712 1.842069 2.012857
H 1.191863 1.997924 -1.935551
H 0.927477 -0.286503 1.748235
H -5.126016 -0.054986 2.327752
H -3.366200 0.694910 -1.568702
H 3.629949 1.370182 -2.138064
H 3.328072 -0.886769 1.562866
H -6.702614 -1.712423 1.305168
H -4.945389 -0.965133 -2.600586
H -6.614751 -2.176474 -1.163483
H 7.446187 -0.541237 -0.600310
H 7.462173 -2.202298 -0.029334
H 5.353344 -3.405270 -0.236367
H 3.883481 -2.499101 0.007214


