%chk=000121269.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121269

0 1
 S   -1.578500      -1.222600     -0.2295000    
 N   -1.288500       1.280700      0.2336000    
 N   -2.654800       1.064600      0.1916000    
 N    3.609800     -0.1808000     -2.5200000E-02
 N   -4.196200     -0.7083000     -0.1394000    
 C   0.8242000      5.0999999E-02  1.0500000E-02
 C  -0.6130000      0.1707000      2.9800000E-02
 C    1.615500       1.175200     -0.1986000    
 C    1.424100      -1.188900      0.2017000    
 C   -2.941700     -0.1982000     -4.2399999E-02
 C    2.991000       1.007400     -0.2073000    
 C    2.808000      -1.250800      0.1752000    
 H    1.191400       2.161800     -0.3548000    
 H   0.8836000      -2.108600      0.3935000    
 H    3.652700       1.852500     -0.3671000    
 H    3.325400      -2.192700      0.3248000    
 H   -4.360600      -1.692700     -0.3226000    
 H   -5.020000     -0.1255000     -3.4000002E-02


%chk=000121269-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121269

0 1
S -1.687706 -1.444730 0.071386
N -1.299668 1.197524 -0.164889
N -2.681149 1.047499 -0.172297
N 3.721548 -0.105381 0.043241
N -4.372012 -0.629905 -0.042560
C 0.858181 -0.012351 -0.017266
C -0.601687 0.071538 -0.050325
C 1.636332 1.176960 -0.109200
C 1.552654 -1.245370 0.105218
C -3.060099 -0.239813 -0.059018
C 3.040807 1.077859 -0.074499
C 2.963872 -1.239441 0.130327
H 1.138026 2.145377 -0.204611
H 1.013389 -2.196128 0.180571
H 3.662620 1.977308 -0.142995
H 3.521426 -2.178126 0.224150
H -4.650092 -1.602513 0.042148
H -5.084043 0.094492 -0.119583


