%chk=000054927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054927

0 1
 S   6.0600001E-02  -1.820500     -0.4290000    
 S  -0.6469000      7.6800004E-02  -2.596800    
 O    2.593400       1.639300      -1.080100    
 N   -1.975700     -3.0500000E-02 -0.1814000    
 N    1.766800      0.2509000      0.2808000    
 N    2.798300       1.008700     -3.6100000E-02
 C    1.710500     -0.9954000     -0.5164000    
 C   -2.208300     -0.6084000       1.144300    
 C   -2.900100       1.056500     -0.5186000    
 C    1.600300      3.6699999E-02   1.725600    
 C  -0.9685000     -0.5070000      -1.043500    
 C    2.782900      -2.036700     -0.1692000    
 C   -3.238200      -1.718000       1.093000    
 C   -2.362700       2.400400     -7.1699999E-02
 C   0.9875000       1.247300       2.399000    
 H    1.871400     -0.7614000      -1.575500    
 H   -2.558900      0.1845000       1.815900    
 H   -1.290100     -0.9813000       1.597800    
 H   -3.873800      0.8655000     -5.3599998E-02
 H   -3.075300       1.077300      -1.598100    
 H   0.9479000     -0.8121000       1.949700    
 H    2.561700     -0.2033000       2.200800    
 H    3.788900      -1.613100     -0.2655000    
 H    2.734200      -2.894100     -0.8509000    
 H    2.678800      -2.414100      0.8542000    
 H   -4.201900      -1.354200      0.7224000    
 H   -2.919000      -2.532500      0.4352000    
 H   -3.398300      -2.133000       2.093100    
 H   -2.235000       2.436600       1.014800    
 H   -1.389900       2.615000     -0.5254000    
 H   -3.054400       3.199500     -0.3560000    
 H   0.8287000       1.046200       3.463600    
 H   1.7200001E-02   1.498200       1.959000    
 H    1.635300       2.126800       2.322400    


%chk=000054927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054927

0 1
S 0.053684 -1.345653 0.417682
S -0.195365 1.030538 -1.616500
O 3.486058 0.628006 -1.523030
N -2.194718 0.131197 0.021552
N 2.512076 0.032378 0.430296
N 3.353909 0.891785 -0.272012
C 1.814631 -1.080988 -0.242657
C -2.789439 -0.741483 1.070957
C -3.115002 1.140979 -0.576033
C 2.434618 0.315513 1.882943
C -0.900496 0.038112 -0.423705
C 2.563687 -2.418919 -0.100606
C -3.444056 -2.014119 0.491521
C -3.053528 2.493985 0.160798
C 1.540613 1.528799 2.209072
H 1.713924 -0.782922 -1.303074
H -3.539926 -0.134043 1.609482
H -2.006537 -1.009572 1.802146
H -4.135577 0.716724 -0.538024
H -2.829456 1.274249 -1.633396
H 2.047275 -0.592642 2.376801
H 3.462040 0.493747 2.245956
H 3.574315 -2.302928 -0.530563
H 2.035638 -3.214814 -0.652896
H 2.666392 -2.729848 0.954478
H -4.234564 -1.759379 -0.236908
H -2.693878 -2.643950 -0.015920
H -3.904040 -2.606472 1.303328
H -3.316236 2.387753 1.229351
H -2.039602 2.921611 0.084473
H -3.764633 3.204830 -0.297757
H 1.540056 1.712998 3.299257
H 0.502540 1.356325 1.878054
H 1.922996 2.428802 1.698735


