%chk=000092638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092638

0 1
 S   -1.709600      -2.564700      0.6405000    
 O   0.7346000       1.821300      0.4860000    
 N  -0.3912000     -0.2198000      0.5526000    
 N    1.970100      -1.426500     -0.1484000    
 N   -1.574600      0.3465000      0.9005000    
 N   0.8176000      -2.185200      5.7900000E-02
 C    3.178500      0.6730000     -0.2329000    
 C    1.932100     -0.1410000     -8.6000003E-03
 C    3.523600       1.427900       1.057400    
 C    2.939800       1.676700      -1.370000    
 C    4.339300     -0.2575000     -0.6125000    
 C   0.6880000      0.6064000      0.3722000    
 C   -3.654400       1.319800      9.3500003E-02
 C  -0.2769000      -1.581700      0.3871000    
 C   -2.302900      0.6775000     -0.1137000    
 C   -3.653300       2.702300     -0.5462000    
 C   -4.729200      0.4285000     -0.5153000    
 C   -1.831600      -3.303400      -1.000100    
 H    3.487500      0.7610000       1.926900    
 H    4.538800       1.839500       1.002500    
 H    2.865600       2.275600       1.265600    
 H    3.886500       2.127000      -1.691900    
 H    2.285600       2.508500      -1.096600    
 H    2.496600       1.183600      -2.243100    
 H    4.129500     -0.8121000      -1.534900    
 H    4.549200     -0.9871000      0.1787000    
 H    5.261200      0.3119000     -0.7798000    
 H   -3.837400       1.421000       1.169700    
 H   -1.977500      0.5110000      -1.158100    
 H   -4.614500       3.203800     -0.3940000    
 H   -2.869200       3.330800     -0.1098000    
 H   -3.464700       2.644900      -1.624100    
 H   -4.572800      0.2897000      -1.591000    
 H   -4.717800     -0.5644000     -5.2400000E-02
 H   -5.724400      0.8602000     -0.3676000    
 H   -1.882500      -2.525200      -1.766700    
 H   -2.740900      -3.907500      -1.057700    
 H  -0.9733000      -3.950900      -1.198600    


%chk=000092638-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000092638

0 1
S -1.868103 -2.822404 0.169138
O 0.320801 1.741096 -0.482907
N -0.613761 -0.403606 -0.180185
N 1.949241 -1.529161 -0.249884
N -1.994618 -0.059115 -0.106607
N 0.816192 -2.345681 -0.081401
C 3.100830 0.631085 -0.562601
C 1.818698 -0.199014 -0.381685
C 3.220430 1.658575 0.605348
C 3.040399 1.386370 -1.926328
C 4.346107 -0.290653 -0.552841
C 0.502889 0.492003 -0.360274
C -3.898019 1.436643 -0.127194
C -0.395009 -1.785010 -0.050058
C -2.410379 1.180221 -0.218857
C -4.189586 2.384749 1.067693
C -4.401077 2.048881 -1.463154
C -0.998750 -4.496811 0.277147
H 3.268807 1.140400 1.580931
H 4.153346 2.239043 0.481922
H 2.370568 2.359977 0.612794
H 3.972232 1.966438 -2.059699
H 2.187023 2.082608 -1.963834
H 2.960515 0.673195 -2.767511
H 4.302624 -1.037082 -1.364025
H 4.431936 -0.845520 0.396801
H 5.251054 0.330871 -0.686940
H -4.403617 0.468129 0.043188
H -1.741553 2.037007 -0.375713
H -5.274032 2.587593 1.131755
H -3.864918 1.937468 2.023706
H -3.669365 3.353353 0.944784
H -3.889267 3.005099 -1.681450
H -4.226347 1.362290 -2.310135
H -5.485717 2.251165 -1.400109
H -0.442883 -4.689620 -0.649986
H -1.813750 -5.225017 0.414943
H -0.307541 -4.504165 1.130330


