%chk=000047515.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047515

0 1
 N  -0.5486000      8.9900002E-02 -0.4758000    
 C    1.629600     -0.5684000      -1.115500    
 C    1.569100      0.9605000      -1.033900    
 C    2.274300      -1.215000      0.1209000    
 C    2.852600       1.615600     -0.5339000    
 C   0.1462000     -0.9485000      -1.238400    
 C    3.626200     -0.5782000      0.4590000    
 C   0.3329000       1.213800     -0.1581000    
 C    3.461600      0.9288000      0.6856000    
 C    4.241100      -1.242200       1.690000    
 C   -1.876800      2.4700001E-02 -0.1123000    
 C   -2.508100       1.070200      0.6172000    
 C   -2.693400      -1.091200     -0.4463000    
 C   -3.852200       1.004800      0.9844000    
 C   -4.037600      -1.156400     -7.9200000E-02
 C   -4.616900     -0.1085000      0.6362000    
 H    2.184300     -0.8883000      -2.005600    
 H    1.352000       1.354100      -2.037500    
 H    1.606500      -1.134000      0.9889000    
 H    2.403900      -2.288700     -6.4999998E-02
 H    2.673200       2.673600     -0.3101000    
 H    3.591700       1.589700      -1.345200    
 H  -0.1732000     -0.9099000      -2.286400    
 H  -3.1300001E-02  -1.955500     -0.8457000    
 H    4.309200     -0.7348000     -0.3863000    
 H   0.5705000       1.214000      0.9109000    
 H  -0.1104000       2.179300     -0.4262000    
 H    4.436900       1.382400      0.9004000    
 H    2.832600       1.110900       1.565400    
 H    5.219800     -0.8068000       1.917600    
 H    3.602300      -1.118600       2.571200    
 H    4.382700      -2.315000       1.522200    
 H   -1.949700       1.954300      0.9161000    
 H   -2.287300      -1.928200      -1.009400    
 H   -4.303500       1.819800       1.542700    
 H   -4.634000      -2.022400     -0.3515000    
 H   -5.663400     -0.1594000      0.9220000    


%chk=000047515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047515

0 1
N -0.554694 0.092144 -0.507412
C 1.636430 -0.588460 -1.144990
C 1.585299 0.968858 -1.081211
C 2.273706 -1.210635 0.124196
C 2.884132 1.630501 -0.566046
C 0.139793 -0.969623 -1.267863
C 3.637498 -0.576788 0.493687
C 0.319474 1.247903 -0.227980
C 3.456800 0.947723 0.698624
C 4.251635 -1.250261 1.739185
C -1.889746 0.021224 -0.120224
C -2.477429 1.046275 0.688021
C -2.718179 -1.077117 -0.516169
C -3.829018 0.967041 1.077693
C -4.066848 -1.140395 -0.113765
C -4.640845 -0.123662 0.685796
H 2.203560 -0.920334 -2.035854
H 1.380355 1.341511 -2.105578
H 1.580256 -1.084552 0.982267
H 2.391702 -2.302591 -0.026593
H 2.703133 2.706898 -0.372466
H 3.646634 1.581177 -1.369904
H -0.195432 -0.996139 -2.328268
H -0.061425 -1.967320 -0.828208
H 4.331695 -0.724135 -0.363915
H 0.561437 1.323341 0.854863
H -0.166474 2.198860 -0.525239
H 4.426847 1.413316 0.962865
H 2.781810 1.111098 1.564782
H 5.233890 -0.808181 1.991508
H 3.589727 -1.124866 2.618016
H 4.397386 -2.335317 1.580431
H -1.872948 1.897340 1.017653
H -2.309281 -1.872883 -1.146981
H -4.250795 1.767288 1.698018
H -4.677090 -1.993859 -0.433657
H -5.690196 -0.178982 0.993120


