%chk=000071109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071109

0 1
 O    1.592600     -0.6491000      -1.939200    
 O   -1.914700      -1.620000      0.4299000    
 N    3.535700      0.4179000     -9.5600002E-02
 N  -0.5632000      -1.914300      0.2963000    
 C    4.179200     -0.8204000      0.3652000    
 C    4.161600       1.600200      0.5130000    
 C    5.669800     -0.8284000      2.2100000E-02
 C    5.651500       1.671200      0.1750000    
 C    6.376400      0.3964000      0.5916000    
 C    2.102900      0.3897000      0.1975000    
 C    1.420600     -0.7762000     -0.5283000    
 C  -6.3000001E-02 -0.8193000     -0.2350000    
 C  -0.9746000      0.1906000     -0.4697000    
 C   -2.147400     -0.3639000     -2.9600000E-02
 C   -3.508200      8.2999997E-02  4.4599999E-02
 C   -3.855600       1.362400     -0.4025000    
 C   -4.499800     -0.7555000      0.5654000    
 C   -5.178600       1.798200     -0.3296000    
 C   -5.822900     -0.3196000      0.6382000    
 C   -6.162200      0.9572000      0.1907000    
 H    3.776200      -1.706800     -0.1299000    
 H    4.047100     -0.9540000       1.446900    
 H    4.031900       1.593300       1.603400    
 H    3.683600       2.511600      0.1339000    
 H    5.796700     -0.8492000      -1.067900    
 H    6.136300      -1.738800      0.4155000    
 H    6.104100       2.534100      0.6763000    
 H    5.776200       1.826400     -0.9043000    
 H    6.399700      0.3296000       1.686300    
 H    7.416100      0.4251000      0.2479000    
 H    1.917500      0.3266000       1.278200    
 H    1.663300       1.332000     -0.1551000    
 H    1.824600      -1.748900     -0.2328000    
 H  -0.8202000       1.172000     -0.8934000    
 H    2.548500     -0.6073000      -2.112900    
 H   -3.112000       2.041200     -0.8129000    
 H   -4.275400      -1.756900      0.9244000    
 H   -5.443300       2.792300     -0.6778000    
 H   -6.589200     -0.9740000       1.043300    
 H   -7.192400       1.296500      0.2474000    


%chk=000071109-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071109

0 1
O 1.640878 -0.039008 -1.485088
O -1.995129 -1.304104 1.051154
N 3.577246 0.148812 0.317244
N -0.564994 -1.636322 1.003458
C 4.527660 -0.994178 0.183487
C 4.192096 1.304557 1.028542
C 5.806365 -0.567477 -0.564637
C 5.460718 1.790222 0.298564
C 6.477156 0.636812 0.133699
C 2.258126 -0.254306 0.870032
C 1.402805 -0.852209 -0.297476
C -0.070917 -0.829090 0.031330
C -1.072915 0.003575 -0.564871
C -2.260045 -0.312035 0.086864
C -3.642375 0.156027 -0.028474
C -3.985035 1.143514 -0.993637
C -4.658459 -0.365895 0.819824
C -5.314098 1.597917 -1.106318
C -5.986077 0.093181 0.702563
C -6.320761 1.075761 -0.259065
H 4.020060 -1.808740 -0.364342
H 4.798178 -1.389194 1.194067
H 4.455865 1.026010 2.079162
H 3.442886 2.115779 1.077459
H 5.539629 -0.294203 -1.604161
H 6.501041 -1.427335 -0.616064
H 5.908236 2.628904 0.865088
H 5.174030 2.176776 -0.699061
H 6.846016 0.324962 1.132783
H 7.357443 0.977027 -0.442970
H 2.326297 -0.982443 1.706698
H 1.752421 0.654096 1.243751
H 1.713367 -1.902603 -0.483133
H -0.892527 0.707963 -1.370480
H 2.562881 0.344227 -1.295072
H -3.212293 1.551031 -1.654622
H -4.396125 -1.126199 1.561952
H -5.566169 2.357677 -1.854114
H -6.760688 -0.315042 1.360845
H -7.353394 1.430455 -0.348480


