%chk=000113016.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113016

0 1
 S   -2.442500      -1.882400      0.2186000    
 S   -4.399000      0.4100000      0.2932000    
 N   -1.622400      0.5739000      0.1502000    
 C  -0.4785000     -0.2285000      0.1705000    
 C   0.2793000      -2.620900      3.5500001E-02
 C    1.482600      -2.106900     -0.7627000    
 C  -0.7488000      -1.546300      0.1641000    
 C   0.9433000      0.1917000      0.1723000    
 C    1.911000     -0.7338000     -0.2945000    
 C   -1.582300       2.023300      1.7000000E-03
 C   -2.827100     -0.1501000      0.2186000    
 C    1.403600       1.416400      0.6739000    
 C    3.269200     -0.3857000     -0.3433000    
 C    2.761800       1.749400      0.6386000    
 C    3.691400      0.8562000      0.1185000    
 C   -1.641500       2.433700      -1.455200    
 H   0.5938000      -2.935500       1.038500    
 H  -0.1253000      -3.504800     -0.4711000    
 H    1.231200      -2.043600      -1.829100    
 H    2.305400      -2.824400     -0.6605000    
 H   -2.472000       2.438500      0.4892000    
 H  -0.7777000       2.523600      0.5117000    
 H   0.7858000       2.100300       1.235400    
 H    4.004400      -1.088600     -0.7262000    
 H    3.096000       2.697900       1.050000    
 H    4.745100       1.117200      9.5500000E-02
 H  -0.7586000       2.079500      -1.997500    
 H   -2.524700       2.026200      -1.957200    
 H   -1.676700       3.524300      -1.542500    


%chk=000113016-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113016

0 1
S -2.520921 -1.950068 0.362624
S -4.472362 0.459448 0.486776
N -1.685905 0.548279 0.244082
C -0.501755 -0.250485 0.158836
C 0.300572 -2.662409 0.059460
C 1.430637 -2.097345 -0.835774
C -0.765300 -1.606182 0.172691
C 0.908229 0.212714 0.132199
C 1.883131 -0.725995 -0.349762
C -1.745736 2.019005 0.007435
C -2.892145 -0.153328 0.372476
C 1.363966 1.466683 0.621367
C 3.247427 -0.368298 -0.369786
C 2.732468 1.810254 0.591995
C 3.682350 0.897703 0.085983
C -1.308501 2.409524 -1.416376
H 0.694991 -2.924425 1.063325
H -0.108568 -3.589669 -0.380239
H 1.044022 -2.013233 -1.872885
H 2.286269 -2.795204 -0.862596
H -2.803582 2.292064 0.167917
H -1.156546 2.541838 0.777673
H 0.661654 2.181177 1.054351
H 3.979768 -1.093516 -0.744286
H 3.052412 2.785276 0.974855
H 4.745632 1.158705 0.060765
H -0.253835 2.155602 -1.614535
H -1.942200 1.902483 -2.164406
H -1.429371 3.500003 -1.547963


