%chk=000127769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127769

0 1
 O   -1.930300       2.249900     -0.3632000    
 O   -3.310500      -3.353000      0.2172000    
 N   -4.347400      -1.234500     -5.8499999E-02
 N   -2.113800      -1.311900      2.3200000E-02
 N    3.949200     -4.0800001E-02  7.3500000E-02
 N    6.019900     -0.5425000     -0.5817000    
 C   -3.855600      4.7200002E-02 -0.1901000    
 C   -2.515300     -9.3999999E-03 -0.1399000    
 C   -4.787000       1.188400     -0.3531000    
 C   -1.556900       1.077300     -0.2349000    
 C  -9.5799997E-02  0.7827000     -0.1533000    
 C   -3.263600      -2.140900      8.0799997E-02
 C    2.596200      0.2349000     -2.4999999E-03
 C   -5.195500       1.796100      0.9820000    
 C   0.5880000      0.5135000      -1.316500    
 C   0.5099000      0.7895000       1.082400    
 C    1.952700      0.2357000      -1.240200    
 C    1.874700      0.5118000       1.158800    
 C    4.714000     -7.7799998E-02   1.211500    
 C    4.784700     -0.3278000     -0.9768000    
 C    5.982600     -0.3887000      0.7814000    
 H   -4.340000       1.965800     -0.9820000    
 H   -5.685900      0.8604000     -0.8898000    
 H   -5.331000      -1.475800     -6.2300000E-02
 H   -1.154400      -1.628300      9.0300001E-02
 H   -5.698600       1.058300       1.616100    
 H   -4.326200       2.178600       1.527200    
 H   -5.886600       2.629800      0.8211000    
 H   9.0000004E-02  0.5131000      -2.281400    
 H  -4.8999999E-02   1.004300       1.988200    
 H    2.459400      2.7799999E-02  -2.176400    
 H    2.319200      0.5255000       2.148100    
 H    4.345300      0.1065000       2.210000    
 H    4.477600     -0.3746000      -2.012200    
 H    6.870900     -0.5090000       1.384200    


%chk=000127769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127769

0 1
O -1.981271 1.989571 0.950149
O -3.706073 -3.242728 -1.260977
N -4.482916 -0.993839 -0.865464
N -2.352393 -1.419355 -0.455496
N 4.091837 -0.039614 0.111104
N 6.082197 -1.052448 -0.325065
C -3.937540 0.200843 -0.394498
C -2.583214 -0.049565 -0.132393
C -4.747011 1.453901 -0.223449
C -1.600721 0.896159 0.397891
C -0.131409 0.585905 0.303178
C -3.523015 -2.049969 -0.905914
C 2.681277 0.175516 0.174045
C -5.380586 1.559677 1.192136
C 0.445757 -0.149587 -0.767291
C 0.728556 1.130499 1.293429
C 1.838715 -0.341589 -0.841933
C 2.116001 0.916916 1.244120
C 5.100530 0.810781 0.608483
C 4.749104 -1.152855 -0.442883
C 6.307751 0.178624 0.322663
H -4.082272 2.321924 -0.368296
H -5.539371 1.491988 -0.996939
H -5.448525 -1.137049 -1.157821
H -1.490138 -1.933524 -0.289188
H -6.033441 0.696002 1.413576
H -4.583881 1.607869 1.952873
H -5.986572 2.479960 1.266672
H -0.182693 -0.517069 -1.585768
H 0.281931 1.720257 2.100195
H 2.272709 -0.857845 -1.704034
H 2.758474 1.303051 2.041625
H 4.877615 1.775170 1.055430
H 4.215223 -2.002090 -0.861045
H 7.316264 0.526611 0.532082


