%chk=000029080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029080

0 1
 S   -5.106300      -1.965100     -2.7999999E-03
 N    5.732200     -0.1880000     -0.1446000    
 N   0.1915000      0.1739000      0.5735000    
 N  -0.3812000      0.2376000     -0.5393000    
 N   -5.916300      0.4770000      0.1767000    
 C    4.336300     -9.6500002E-02  3.6200002E-02
 C    3.728300       1.153500      0.1522000    
 C    3.563800      -1.256300      9.8899998E-02
 C    1.582400      8.3700001E-02  0.3930000    
 C   -3.915600     -0.7233000     -0.1166000    
 C   -4.540800      0.5217000      2.0999999E-03
 C    2.347900       1.243900      0.3312000    
 C    2.183400      -1.166000      0.2778000    
 C   -1.766000      0.3270000     -0.3592000    
 C   -2.528400     -0.8422000     -0.2980000    
 C    6.543700       1.011000     -0.2112000    
 C    6.374900      -1.482600     -0.2523000    
 C   -3.747000       1.687400     -6.3199997E-02
 C   -2.365300       1.576300     -0.2436000    
 C   -6.317500     -0.7728000      0.1892000    
 H    4.285000       2.084500      0.1103000    
 H    3.988700      -2.251500      1.3900000E-02
 H    1.881700       2.221400      0.4218000    
 H    1.588400      -2.074000      0.3264000    
 H   -2.061400      -1.818900     -0.3889000    
 H    6.246600       1.644200      -1.054700    
 H    7.603500      0.7748000     -0.3586000    
 H    6.479000       1.584900      0.7199000    
 H    7.458400      -1.387000     -0.3848000    
 H    6.003500      -2.038000      -1.120600    
 H    6.223800      -2.076500      0.6561000    
 H   -4.205000       2.668500      2.5800001E-02
 H   -1.764900       2.481700     -0.2931000    
 H   -7.357900      -1.039800      0.3139000    


%chk=000029080-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029080

0 1
S -4.952511 0.865364 2.260898
N 5.872115 -0.105935 -0.072256
N 0.221449 0.144813 0.378563
N -0.512153 -0.139029 -0.677509
N -6.131268 0.204413 -0.074390
C 4.483016 -0.053374 0.014866
C 3.827715 0.303758 1.240700
C 3.657559 -0.355414 -1.125095
C 1.619591 0.055514 0.181711
C -3.912112 0.408448 0.841240
C -4.741919 0.095937 -0.292548
C 2.430101 0.354469 1.312509
C 2.264256 -0.302139 -1.041802
C -1.922188 -0.036412 -0.457063
C -2.515006 0.348493 0.779094
C 6.697871 0.202043 1.104787
C 6.523410 -0.469876 -1.339935
C -4.136114 -0.285985 -1.514689
C -2.736630 -0.348497 -1.588729
C -6.400660 0.580340 1.155257
H 4.412949 0.541783 2.132430
H 4.119662 -0.631605 -2.077023
H 1.927664 0.627839 2.246587
H 1.639562 -0.531829 -1.910735
H -1.861785 0.580496 1.624288
H 6.525409 1.235411 1.466360
H 7.762417 0.108685 0.840404
H 6.491424 -0.493673 1.942467
H 7.616175 -0.450520 -1.208215
H 6.265414 0.239778 -2.150910
H 6.237933 -1.488396 -1.670353
H -4.770421 -0.522673 -2.373469
H -2.229103 -0.637830 -2.513998
H -7.404422 0.730102 1.553959


