%chk=000052453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052453

0 1
 S    1.012700       1.896300       1.274400    
 O  -0.3848000       1.113800      -1.852000    
 N   -1.667200       2.720100     -0.8639000    
 C    4.151800      -1.041900     -0.2790000    
 C    2.236000      0.7509000      0.6688000    
 C   -2.351100     -0.3884000      0.5713000    
 C    3.832700      9.4599999E-02  -1.021700    
 C    3.513300      -1.282200      0.9377000    
 C    2.874900      0.9911000     -0.5478000    
 C    2.555400     -0.3859000       1.411600    
 C  -0.3950000       1.187500      0.5462000    
 C   -1.163600      0.2379000       1.131000    
 C    5.175300      -2.000800     -0.7860000    
 C   -3.608000      0.1724000      0.7981000    
 C   -2.233100      -1.549800     -0.1923000    
 C   -4.747000     -0.4282000      0.2616000    
 C   -3.372100      -2.150300     -0.7288000    
 C   -4.629000      -1.589500     -0.5018000    
 C  -0.8011000       1.652500     -0.8274000    
 H    4.324600      0.2937000      -1.970100    
 H    3.754700      -2.163400       1.526200    
 H    2.640600       1.872100      -1.140400    
 H    2.069100     -0.5899000       2.362400    
 H  -0.9017000     -0.1218000       2.124800    
 H    5.195600      -2.015100      -1.881000    
 H    6.167700      -1.718900     -0.4205000    
 H    4.956800      -3.022400     -0.4568000    
 H   -3.716500       1.077300       1.391300    
 H   -1.260200      -1.998800     -0.3781000    
 H   -5.725600      8.2999999E-03  0.4382000    
 H   -3.280400      -3.054400      -1.323600    
 H   -5.515600      -2.057100     -0.9197000    
 H   -2.013100       3.166300     -2.0300001E-02
 H   -1.993300       3.098300      -1.746900    


%chk=000052453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052453

0 1
S 1.056414 2.023031 1.074961
O -0.154876 1.813786 -2.159351
N -1.714483 3.104239 -1.017888
C 4.245561 -1.282291 0.078203
C 2.272848 0.682080 0.659611
C -2.413986 -0.281541 0.268357
C 3.319741 -0.855331 -0.912050
C 4.158405 -0.698953 1.366557
C 2.344845 0.126950 -0.638934
C 3.174153 0.272811 1.666306
C -0.479221 1.410794 0.230329
C -1.207076 0.395916 0.784747
C 5.298673 -2.328764 -0.243991
C -3.197278 -1.029775 1.195272
C -2.824989 -0.255750 -1.096948
C -4.367926 -1.700323 0.786380
C -3.993212 -0.931780 -1.504387
C -4.774252 -1.650251 -0.567679
C -0.764290 2.106118 -1.082689
H 3.368437 -1.289578 -1.918516
H 4.857527 -1.011949 2.151541
H 1.650721 0.462958 -1.418346
H 3.107611 0.697144 2.674077
H -0.846213 0.023705 1.754764
H 4.840603 -3.250639 -0.648497
H 6.010395 -1.959139 -1.006765
H 5.881749 -2.606042 0.651123
H -2.881976 -1.076238 2.245097
H -2.213905 0.255979 -1.846069
H -4.957279 -2.265290 1.516907
H -4.288923 -0.910833 -2.559257
H -5.679346 -2.175621 -0.891996
H -2.194082 3.320365 -0.145292
H -1.931572 3.638512 -1.860076


