%chk=000059269.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059269

0 1
 S    1.610400     -0.8222000     -0.6013000    
 N   -4.738500      0.4283000      0.3582000    
 N    3.816000     -0.6143000      0.8277000    
 N    3.149800       1.335200     -0.3272000    
 C   -1.113100     -0.5059000     -0.3450000    
 C   -2.296400      0.3022000      0.1961000    
 C   0.2132000      0.1420000      4.2599998E-02
 C   -3.626400     -0.3607000     -0.1582000    
 C    2.985000      9.5399998E-02  7.1999999E-03
 H   -1.194500     -0.5758000      -1.437100    
 H   -1.162200      -1.527100      5.3599998E-02
 H   -2.208600      0.3952000       1.286100    
 H   -2.262900       1.317900     -0.2182000    
 H   0.2613000       1.159400     -0.3586000    
 H   0.3019000      0.2028000       1.132500    
 H   -3.672400      -1.367100      0.2715000    
 H   -3.724300     -0.4569000      -1.245200    
 H   -5.618100      1.7000000E-03  6.9899999E-02
 H   -4.722300       1.358500     -5.7999998E-02
 H    4.640800     -0.1894000       1.237200    
 H    3.631200      -1.586000       1.052100    
 H    2.392500       1.615900     -0.9589000    


%chk=000059269-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059269

0 1
S 1.607738 -1.021893 -0.354725
N -4.843308 0.565455 0.116724
N 4.185852 -0.709503 0.373661
N 3.060074 1.345082 0.438549
C -1.162309 -0.569963 -0.209511
C -2.369332 0.359999 0.057624
C 0.173755 0.162231 0.002536
C -3.721022 -0.354764 -0.153192
C 3.047939 0.062364 0.216587
H -1.212959 -0.958770 -1.246154
H -1.213259 -1.446805 0.465444
H -2.341353 0.748033 1.093748
H -2.314414 1.241494 -0.616203
H 0.258326 1.022463 -0.685937
H 0.278075 0.512133 1.044184
H -3.794368 -1.199233 0.559227
H -3.733301 -0.799392 -1.179870
H -5.756982 0.111320 0.205174
H -4.877439 1.375253 -0.510960
H 5.052141 -0.230278 0.612388
H 4.144431 -1.724752 0.382361
H 2.194118 1.858627 0.215346


