%chk=000078755.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078755

0 1
 S    1.274900      0.3286000      0.7637000    
 N   -1.642100       1.815100      0.2226000    
 N  -0.4568000      -1.666100      0.1841000    
 N   -3.598900      0.8914000     -0.3128000    
 N   -2.825800      -1.413300     -0.3409000    
 C    3.837300     -0.6144000      0.1695000    
 C    4.287100      0.7103000     -0.4525000    
 C    2.349500     -0.9086000     -2.1199999E-02
 C   -1.411400      0.4706000      0.1552000    
 C  -0.3063000     -0.3334000      0.3386000    
 C    5.790600      0.9006000     -0.3205000    
 C   -2.641000     -8.0899999E-02 -0.1788000    
 C   -2.966100       2.018300     -6.5200001E-02
 C   -1.691200      -2.118200     -0.1419000    
 H    4.083900     -0.6233000       1.238800    
 H    4.407200      -1.434200     -0.2862000    
 H    4.015000      0.7333000      -1.514100    
 H    3.789900       1.557900      3.0400001E-02
 H    2.118000     -0.9556000      -1.091200    
 H    2.138700      -1.892300      0.4122000    
 H    6.093300       1.851200     -0.7708000    
 H    6.334300      9.7000003E-02 -0.8274000    
 H    6.093600      0.9110000      0.7314000    
 H  -0.9630000       2.531200      0.4440000    
 H   -3.401900       3.007100     -7.7000000E-02
 H   -1.779300      -3.193000     -0.2588000    


%chk=000078755-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078755

0 1
S 1.120021 0.661334 -1.479331
N -1.789241 1.880494 -0.248281
N -0.024846 -1.418537 -0.035465
N -3.357343 0.807779 1.036276
N -2.167725 -1.374550 1.163179
C 3.446197 -0.662611 -0.424322
C 4.344969 0.592996 -0.442911
C 2.420383 -0.728974 -1.565085
C -1.302907 0.587747 -0.049785
C -0.150342 -0.131181 -0.440728
C 5.364914 0.605769 0.715786
C -2.294134 -0.073716 0.756101
C -3.016949 1.952180 0.422390
C -1.025982 -1.971155 0.735628
H 2.917911 -0.741587 0.544961
H 4.084968 -1.568299 -0.504897
H 4.881089 0.645197 -1.412873
H 3.705726 1.496500 -0.386541
H 2.883102 -0.600213 -2.558701
H 1.836332 -1.663107 -1.531376
H 5.999264 1.510330 0.684548
H 6.031937 -0.275956 0.670830
H 4.850926 0.586977 1.695160
H -1.337513 2.626220 -0.776940
H -3.618375 2.859022 0.430910
H -0.872883 -3.012359 1.032667


