%chk=000156446.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156446

0 1
 O   -2.039400      -1.656600      0.2966000    
 O    1.813500       1.501600      4.1000000E-03
 N   -1.572100      0.6578000      0.2647000    
 N   0.4783000       1.872700      0.1082000    
 C   -3.858500     -0.1262000      0.4448000    
 C   -4.793600     -0.6893000     -0.5590000    
 C   -4.439400      0.7687000     -0.5854000    
 C   -2.398300     -0.4840000      0.3266000    
 C    3.252400     -0.4207000     -0.1111000    
 C    1.829400      0.1779000      3.0000001E-04
 C  -0.1975000      0.7213000      0.1585000    
 C    3.192900      -1.782200     -0.8374000    
 C    3.850200     -0.6177000       1.299000    
 C    4.232200      0.4749000     -0.9006000    
 C   0.6497000     -0.3982000      9.0700001E-02
 H   -4.224400     -3.6100000E-02   1.461700    
 H   -5.789800     -0.9591000     -0.2300000    
 H   -4.402700      -1.314500      -1.352500    
 H   -3.825400       1.113300      -1.408500    
 H   -5.197000       1.476700     -0.2718000    
 H   -2.021700       1.568900      0.3094000    
 H    2.753000      -1.680800      -1.836600    
 H    2.592100      -2.510800     -0.2813000    
 H    4.194100      -2.212900     -0.9553000    
 H    3.222600      -1.283100       1.903400    
 H    4.852800      -1.057200       1.250800    
 H    3.924000      0.3362000       1.834200    
 H    4.375000       1.444300     -0.4091000    
 H    3.854100      0.6731000      -1.910300    
 H    5.218100      5.7000001E-03 -0.9966000    
 H   0.4123000      -1.450100      0.1102000    


%chk=000156446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000156446

0 1
O -2.040702 -0.997318 -0.869342
O 1.933658 1.244710 1.083277
N -1.551708 0.831474 0.512217
N 0.536284 1.640425 1.264395
C -3.880568 0.350954 -0.024421
C -4.901829 -0.813003 -0.016833
C -4.803914 0.085070 -1.239163
C -2.435007 -0.011562 -0.176383
C 3.360697 -0.449978 -0.040394
C 1.983481 0.106361 0.256693
C -0.154698 0.718109 0.538038
C 3.221957 -1.687531 -0.962842
C 4.045797 -0.860039 1.298016
C 4.214217 0.645419 -0.747112
C 0.695292 -0.251413 -0.103427
H -4.112329 1.222064 0.597655
H -5.763523 -0.713540 0.648506
H -4.473934 -1.815692 -0.097299
H -4.311236 -0.326586 -2.123857
H -5.597095 0.813036 -1.429152
H -1.936254 1.610170 1.053472
H 2.744546 -1.423070 -1.923827
H 2.623679 -2.483352 -0.483242
H 4.224066 -2.098497 -1.181276
H 3.465919 -1.644742 1.816787
H 5.057555 -1.254966 1.092222
H 4.138055 0.006680 1.974914
H 4.309510 1.542553 -0.111574
H 3.756326 0.947427 -1.706391
H 5.226566 0.252668 -0.954264
H 0.362095 -1.072232 -0.727695


