%chk=000082545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082545

0 1
 S    3.549500       1.574300      0.4633000    
 N    1.071700      0.5344000      0.4484000    
 N    2.912400     -0.7031000     -0.4308000    
 N    4.770800      0.6169000     -0.1807000    
 N    4.284200     -0.5430000     -0.6070000    
 C   -1.348900      0.2519000      9.6000001E-02
 C   -2.454000     -0.6185000     -5.9599999E-02
 C  -6.8300001E-02 -0.2916000      0.2881000    
 C   -1.557100       1.640200      5.5000000E-02
 C   -2.245800      -2.006800     -1.8700000E-02
 C   0.1202000      -1.673400      0.3262000    
 C   -3.734600     -7.5000003E-02 -0.2517000    
 C  -0.9665000      -2.529300      0.1731000    
 C   -2.836500       2.162800     -0.1366000    
 C   -3.923000       1.306800     -0.2897000    
 C    2.425900      0.3534000      0.1248000    
 H  -0.7471000       2.356800      0.1546000    
 H   -3.080700      -2.694700     -0.1345000    
 H    1.094300      -2.119200      0.5016000    
 H   -4.598400     -0.7251000     -0.3738000    
 H  -0.8206000      -3.605100      0.2093000    
 H   0.8557000       1.438200      0.8583000    
 H   -2.984200       3.238400     -0.1696000    
 H   -4.918500       1.714300     -0.4397000    


%chk=000082545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082545

0 1
S 3.604398 1.787194 0.190436
N 1.086707 0.646199 0.089696
N 2.972280 -0.850913 0.138770
N 5.015140 0.280623 0.222593
N 4.336764 -0.790966 0.186097
C -1.339765 0.294408 0.001961
C -2.467084 -0.617474 -0.040935
C -0.004074 -0.275753 0.045953
C -1.614785 1.704118 -0.001304
C -2.242384 -2.032955 -0.039654
C 0.182619 -1.665933 0.045774
C -3.798661 -0.086211 -0.084445
C -0.943731 -2.537894 0.002765
C -2.923880 2.191619 -0.044292
C -4.030265 1.289258 -0.086379
C 2.435987 0.421385 0.133512
H -0.809215 2.449348 0.029121
H -3.105722 -2.706859 -0.072689
H 1.195643 -2.068827 0.077885
H -4.638720 -0.789910 -0.116535
H -0.770423 -3.618965 0.003567
H 0.814596 1.629081 0.090404
H -3.102780 3.272036 -0.045939
H -5.052145 1.680994 -0.120062


