%chk=000130858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130858

1 1
 S    2.354600     -1.9999999E-04   0.000000    
 N   -6.253500       0.000000      1.9999999E-04
 N    3.752200       6.421000      9.9999997E-05
 N    3.752100      -6.421100     -6.9999998E-04
 C  -0.7981000      1.9999999E-04   0.000000    
 C   -2.141400      9.9999997E-05 -5.0000002E-04
 C    1.259000       1.345800       0.000000    
 C    1.258800      -1.345900      7.9999998E-04
 C  -8.1699997E-02   1.266300     -9.9999997E-05
 C  -8.1900001E-02  -1.266100      7.9999998E-04
 C   -4.969500      1.9999999E-04  3.9999999E-04
 C    1.899400       2.649300       0.000000    
 C    1.899300      -2.649600      3.9999999E-04
 C   -2.873100      -1.257700     -5.0000002E-04
 C   -2.873100       1.257800     -5.0000002E-04
 C   -4.213000      -1.279900     -9.9999997E-05
 C   -4.213000       1.280200      3.0000001E-04
 C    2.207900       3.277000       1.207900    
 C    2.207600      -3.276900      -1.207700    
 C    2.207800       3.277300      -1.208100    
 C    2.207600      -3.277600       1.208300    
 C    2.822800       4.529100       1.208000    
 C    2.822700      -4.528800      -1.208100    
 C    2.822900       4.529200      -1.208100    
 C    2.822700      -4.529600       1.208000    
 C   -7.029900      -1.266400     -7.9999998E-04
 C   -7.030100       1.266400      5.0000002E-04
 C    3.130400       5.155200     -9.9999997E-05
 C    3.130300      -5.155200     -3.0000001E-04
 H  -0.5882000       2.220500       0.000000    
 H  -0.5886000      -2.220200      1.4000000E-03
 H   -2.420100      -2.237100     -1.4000000E-03
 H   -2.420000       2.237200     -1.1000000E-03
 H   -4.717700      -2.238400     -3.0000001E-04
 H   -4.717700       2.238700      3.0000001E-04
 H    1.974600       2.803700       2.158800    
 H    1.974200      -2.803200      -2.158500    
 H    1.974200       2.803900      -2.159000    
 H    1.974200      -2.804600       2.159400    
 H    3.057300       5.006600       2.155900    
 H    3.057100      -5.006100      -2.156200    
 H    3.057300       5.006900      -2.156000    
 H    3.057200      -5.007500       2.155800    
 H   -6.792900      -1.830000      0.9062000    
 H   -6.791900      -1.829400     -0.9079000    
 H   -8.101200      -1.047100     -1.4000000E-03
 H   -6.793200       1.829600     -0.9066000    
 H   -6.792200       1.829700      0.9074000    
 H   -8.101300       1.046900      1.3000000E-03
 H    3.976100       6.875000     -0.8754000    
 H    3.976000       6.875000      0.8756000    
 H    3.974700      -6.876000      0.8747000    
 H    3.974700      -6.875400     -0.8763000    


%chk=000130858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130858

1 1
S 2.455383 0.000989 -0.000099
N -6.508961 -0.002166 -0.000017
N 3.869737 6.555550 -0.075263
N 3.870496 -6.553826 0.075319
C -0.756644 0.000675 -0.000465
C -2.224892 0.000175 -0.000508
C 1.332297 1.429894 -0.017458
C 1.332738 -1.428200 0.017214
C -0.050678 1.247038 -0.003469
C -0.050287 -1.245509 0.002476
C -5.125716 -0.001370 -0.000072
C 1.993680 2.734264 -0.027488
C 1.994169 -2.732620 0.027627
C -2.979293 -1.113582 0.489578
C -2.980546 1.113214 -0.490080
C -4.375272 -1.120747 0.502374
C -4.376571 1.118868 -0.502512
C 3.332184 2.913620 0.444192
C 3.334302 -2.911093 -0.439808
C 1.313710 3.892790 -0.523644
C 1.312766 -3.892014 0.519646
C 3.953140 4.165539 0.434451
C 3.955423 -4.162923 -0.429989
C 1.924601 5.149114 -0.544608
C 1.923733 -5.148310 0.540553
C -7.254672 -1.175083 0.495126
C -7.256070 1.169806 -0.495302
C 3.261861 5.316249 -0.061236
C 3.262593 -5.314537 0.061386
H -0.648818 2.158680 0.085175
H -0.648406 -2.157107 -0.086632
H -2.460357 -1.976490 0.920820
H -2.462805 1.977011 -0.920967
H -4.893980 -1.987799 0.918408
H -4.896292 1.985496 -0.918164
H 3.883546 2.061911 0.858389
H 3.887172 -2.058729 -0.850609
H 0.305081 3.797896 -0.939127
H 0.302662 -3.798230 0.931745
H 4.972976 4.271219 0.820977
H 4.976637 -4.267753 -0.813083
H 1.383354 6.012206 -0.948457
H 1.381168 -6.012132 0.941062
H -7.050796 -1.363166 1.566981
H -6.998258 -2.087021 -0.076775
H -8.333721 -0.996051 0.381307
H -7.052040 1.358271 -1.567059
H -7.001100 2.082034 0.076783
H -8.334918 0.989317 -0.381881
H 3.380207 7.378617 -0.419262
H 4.823082 6.677576 0.259006
H 3.379825 -7.377519 0.416182
H 4.824970 -6.675243 -0.255941


