%chk=000121229.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121229

0 1
 S    1.791400      0.1267000      0.6904000    
 O   -3.408500      3.2299999E-02  0.5559000    
 O    1.078400     -1.6100001E-02  -1.842500    
 N  -0.6724000     -2.3800001E-02 -0.3005000    
 N    5.799400      0.2065000      0.1075000    
 C   -1.428000      -1.223700     -0.1019000    
 C   -1.400200       1.201300     -0.1750000    
 C   -2.756200      -1.151800      0.3311000    
 C   -2.735800       1.184200      0.2413000    
 C    4.523900      0.2421000      0.8167000    
 C    3.376800      8.3800003E-02 -0.1735000    
 C   0.6729000     -2.7700000E-02 -0.6841000    
 C  -0.9009000      -2.495700     -0.3835000    
 C  -0.8023000       2.451300     -0.4089000    
 C   -3.515700      -2.308800      0.5413000    
 C   -3.464700       2.369800      0.3900000    
 C   -1.658900      -3.653100     -0.1795000    
 C   -1.529800       3.636900     -0.2634000    
 C   -2.963100      -3.560500      0.2923000    
 C   -2.862200       3.596300      0.1314000    
 C    5.943900      -1.050900     -0.6270000    
 C    6.911900      0.3808000       1.042000    
 H    4.425100       1.206900       1.331100    
 H    4.481100     -0.5449000       1.582200    
 H    3.404700     -0.8789000     -0.6903000    
 H    3.404900      0.8851000     -0.9202000    
 H   0.1154000      -2.610100     -0.7526000    
 H   0.2346000       2.533600     -0.7240000    
 H   -4.543300      -2.236600      0.8881000    
 H   -4.502200       2.340500      0.7129000    
 H   -1.225600      -4.626600     -0.3901000    
 H   -1.050900       4.592000     -0.4597000    
 H   -3.551600      -4.458900      0.4515000    
 H   -3.426300       4.516800      0.2458000    
 H    5.306900      -1.081500      -1.516200    
 H    5.742500      -1.929100     -2.6000000E-03
 H    6.965600      -1.149900      -1.014500    
 H    7.866000      0.4148000      0.5040000    
 H    6.961100     -0.4261000       1.782100    
 H    6.821300       1.333700       1.575500    


%chk=000121229-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121229

0 1
S 1.706188 -0.820324 1.557675
O -3.012247 0.514961 1.019560
O 1.590650 1.140574 -0.362668
N -0.442376 0.024136 -0.009243
N 5.614139 -0.108830 0.248827
C -1.192365 -1.075859 0.555740
C -1.248855 1.061826 -0.627313
C -2.472013 -0.792510 1.096542
C -2.529620 1.300876 -0.063397
C 4.297892 -0.776864 0.365735
C 3.448899 -0.084755 1.449104
C 0.927828 0.247768 0.223404
C -0.745561 -2.416415 0.533330
C -0.825907 1.850167 -1.720633
C -3.254580 -1.793622 1.697684
C -3.367139 2.320472 -0.545003
C -1.520675 -3.429155 1.138945
C -1.661341 2.880953 -2.207317
C -2.764431 -3.116997 1.736828
C -2.923576 3.123633 -1.618602
C 5.572126 1.110738 -0.585220
C 6.709245 -1.015783 -0.145468
H 4.459545 -1.832326 0.652360
H 3.735267 -0.778280 -0.598795
H 3.320051 0.988037 1.239911
H 3.885582 -0.220240 2.451402
H 0.212721 -2.659935 0.067449
H 0.158146 1.677166 -2.157619
H -4.230502 -1.524348 2.111524
H -4.343475 2.467910 -0.074583
H -1.153976 -4.460350 1.137285
H -1.318542 3.496696 -3.044969
H -3.361752 -3.902799 2.210281
H -3.564631 3.926790 -1.996124
H 4.754490 1.773128 -0.256080
H 5.409763 0.887512 -1.669925
H 6.523631 1.663223 -0.484480
H 7.671794 -0.474576 -0.096194
H 6.601266 -1.424408 -1.182501
H 6.763541 -1.867490 0.555646


