%chk=000050134.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050134

1 1
 S   -1.386800     -4.5400001E-02  0.4532000    
 N   -3.992500      0.3506000     -0.2898000    
 N   -5.926400     -0.5022000      9.9699996E-02
 C    3.884100     -0.2191000      0.3215000    
 C    2.642000      0.1916000     -0.4728000    
 C    5.197300      5.8600001E-02 -0.4159000    
 C    1.360300     -8.6499996E-02  0.3190000    
 C    6.441400     -0.2835000      0.4068000    
 C    7.720800      8.0399998E-02 -0.3480000    
 C   0.1251000      0.2925000     -0.4927000    
 C   -2.622100      0.4998000     -0.7605000    
 C    8.960400     -0.2214000      0.4791000    
 C   -4.738000     -0.7391000     -0.4652000    
 C   -4.702100       1.300800      0.3939000    
 C   -5.932100      0.7602000      0.6425000    
 C   -7.031400      -1.437200      0.1293000    
 H    3.827400      -1.288300      0.5603000    
 H    3.891800      0.3187000       1.277800    
 H    2.618400     -0.3583000      -1.421300    
 H    2.698900       1.259000     -0.7180000    
 H    5.230200       1.120000     -0.6920000    
 H    5.211900     -0.5122000      -1.352600    
 H    1.324200      -1.151200      0.5827000    
 H    1.385700      0.4828000       1.256700    
 H    6.410200      0.2604000       1.358700    
 H    6.441300      -1.353800      0.6453000    
 H    7.712800       1.146300     -0.6042000    
 H    7.769300     -0.4794000      -1.289200    
 H   9.5200002E-02 -0.2837000      -1.423400    
 H   0.1536000       1.357600     -0.7451000    
 H   -2.451000       1.552600      -1.009000    
 H   -2.512200     -8.8299997E-02  -1.677800    
 H    9.016000      -1.285900      0.7279000    
 H    8.958100      0.3504000       1.412600    
 H    9.863100      4.4500001E-02 -7.9899997E-02
 H   -4.440400      -1.645700     -0.9687000    
 H   -4.230700       2.239500      0.6130000    
 H   -6.822900       1.098900       1.135500    
 H   -7.889900     -0.9968000     -0.3850000    
 H   -6.749800      -2.367200     -0.3719000    
 H   -7.292600      -1.653800       1.168800    


%chk=000050134-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050134

1 1
S -1.485167 -1.996506 -1.432895
N -3.727383 -0.283340 -1.229196
N -4.745134 0.327329 0.634854
C 3.552515 -0.674814 -0.044052
C 2.224540 -0.110047 -0.600346
C 4.641810 0.409081 0.121476
C 1.130334 -1.198593 -0.742964
C 5.973318 -0.147022 0.675575
C 7.059037 0.939676 0.850559
C -0.172010 -0.605358 -1.302843
C -2.895824 -1.062141 -2.210634
C 8.385925 0.377258 1.404161
C -3.857301 -0.558950 0.099163
C -4.555199 0.805454 -1.548908
C -5.192378 1.189010 -0.379375
C -5.163881 0.379151 2.054345
H 3.926703 -1.470594 -0.720195
H 3.365915 -1.158953 0.936902
H 2.413679 0.359216 -1.587590
H 1.862456 0.696681 0.070396
H 4.268881 1.205507 0.799171
H 4.829367 0.895683 -0.858378
H 1.494667 -2.001524 -1.412178
H 0.943814 -1.659881 0.246799
H 5.789624 -0.639356 1.653446
H 6.354792 -0.937400 -0.003814
H 6.678132 1.729703 1.529680
H 7.243767 1.431263 -0.126292
H -0.026438 -0.204906 -2.321200
H -0.569746 0.184770 -0.642152
H -2.515682 -0.349869 -2.959313
H -3.540782 -1.809399 -2.699815
H 8.803934 -0.391757 0.727750
H 8.236209 -0.093134 2.394263
H 9.144911 1.171960 1.520119
H -3.322663 -1.346475 0.622044
H -4.629613 1.209905 -2.553833
H -5.904649 1.988004 -0.195931
H -6.254283 0.241941 2.126368
H -4.664496 -0.425369 2.613851
H -4.883102 1.349997 2.492283


