%chk=000029591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029591

1 1
 S   -2.697600       1.536000     -0.9429000    
 N    3.588400     -1.1700000E-02  6.9799997E-02
 N   -2.801400     -0.9586000      0.1332000    
 C  -0.5794000      2.5000000E-02 -0.1675000    
 C    2.180500      7.9999998E-04 -1.0200000E-02
 C   -2.056500      3.7300002E-02 -0.2513000    
 C   0.1506000     -0.4533000      -1.239400    
 C   3.2499999E-02  0.4914000      0.9810000    
 C    1.543100     -0.4656000      -1.160100    
 C    1.425100      0.4792000       1.060400    
 C    4.249400     -0.1560000       1.351800    
 C    4.393100      0.1336000      -1.126900    
 C   -4.296600     -0.9273000      4.0300000E-02
 C   -2.240300      -2.232200      0.6885000    
 C   -2.891000       2.501500      0.5732000    
 H  -0.3383000     -0.8218000      -2.136700    
 H  -0.5465000      0.8594000       1.822900    
 H    2.101000     -0.8562000      -2.006400    
 H    1.889500      0.8587000       1.966100    
 H    4.263900      0.7972000       1.890600    
 H    5.289000     -0.4789000       1.225900    
 H    3.758600     -0.9132000       1.973700    
 H    5.417700      0.4341000     -0.8806000    
 H    3.989300      0.9068000      -1.790300    
 H    4.450800     -0.8138000      -1.673200    
 H   -4.671300     -0.1546000      0.7159000    
 H   -4.695300      -1.899600      0.3438000    
 H   -4.581800     -0.7338000     -0.9971000    
 H   -2.715500      -2.412200       1.656900    
 H   -1.159900      -2.178600      0.8262000    
 H   -2.484300      -3.035700     -1.1700000E-02
 H   -1.915300       2.776700      0.9805000    
 H   -3.453000       1.942600       1.325800    
 H   -3.437700       3.420200      0.3443000    


%chk=000029591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029591

1 1
S -3.140602 1.144630 -1.001230
N 3.487533 0.125681 0.260083
N -2.953557 -1.147222 0.413431
C -0.763187 -0.088137 -0.020144
C 2.115570 0.057222 0.170467
C -2.209489 -0.139051 -0.111271
C 0.035329 0.354594 -1.124819
C -0.076280 -0.447530 1.188255
C 1.425145 0.411327 -1.045561
C 1.311148 -0.367188 1.290150
C 4.179664 -0.265952 1.506676
C 4.292511 0.592219 -0.889369
C -4.430859 -1.076824 0.569071
C -2.382567 -2.485626 0.728613
C -2.102075 2.707934 -0.752177
H -0.455168 0.603965 -2.072622
H -0.652774 -0.742276 2.072143
H 1.989585 0.717189 -1.929310
H 1.783104 -0.615414 2.243508
H 3.891866 0.387988 2.351508
H 5.265742 -0.176698 1.363076
H 3.957122 -1.314881 1.776929
H 5.354158 0.612687 -0.605405
H 4.001866 1.614607 -1.194394
H 4.184067 -0.082836 -1.759197
H -4.749542 -0.039322 0.751063
H -4.721277 -1.704732 1.426618
H -4.940210 -1.453208 -0.336744
H -2.359963 -2.652228 1.819823
H -1.365466 -2.576320 0.324126
H -3.026400 -3.255406 0.268583
H -1.511449 2.909494 -1.655035
H -1.447438 2.572411 0.119805
H -2.825302 3.516301 -0.570149


