%chk=000131647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131647

0 1
 O  -0.2170000      -1.766300     -0.3088000    
 N   -3.265700       1.030600      0.9383000    
 N   0.7981000      0.3563000     -0.3357000    
 C   -2.717100     -0.8404000     -0.7845000    
 C   -1.554400      0.1632000     -0.6597000    
 C   -3.953100     -3.4400001E-02  -1.219800    
 C   -3.035400      -1.431900      0.6009000    
 C   -1.871700       1.174600      0.4567000    
 C   -4.188900       1.108300     -0.2162000    
 C   -3.405500     -0.2987000       1.570700    
 C  -0.2560000     -0.5448000     -0.4155000    
 C    2.165200      6.4999998E-02 -0.1151000    
 C    3.097100       1.089400     -6.1900001E-02
 C    2.541900      -1.259600      4.4399999E-02
 C    4.439900      0.7817000      0.1566000    
 C    2.704000       2.521100     -0.2322000    
 C    3.884800      -1.567200      0.2629000    
 C    4.833700     -0.5466000      0.3188000    
 H   -2.504200      -1.635200      -1.507700    
 H   -1.453200      0.6979000      -1.615000    
 H   -4.833600     -0.6869000      -1.260900    
 H   -3.805800      0.3762000      -2.225700    
 H   -2.199600      -2.008500       1.007400    
 H   -3.878900      -2.128500      0.5171000    
 H   -1.189300       1.084300       1.311700    
 H   -1.730700       2.194900      7.7200003E-02
 H   -4.072100       2.077600     -0.7169000    
 H   -5.227000       1.083600      0.1377000    
 H   -4.433400     -0.4318000       1.930900    
 H   -2.772300     -0.3515000       2.465200    
 H   0.5715000       1.339000     -0.4609000    
 H    1.874200      -2.107300      1.4900000E-02
 H    5.192800       1.564000      0.2031000    
 H    2.258400       2.683200      -1.219300    
 H    1.992900       2.820600      0.5450000    
 H    3.567400       3.191100     -0.1541000    
 H    4.193000      -2.601100      0.3894000    
 H    5.879300     -0.7863000      0.4889000    


%chk=000131647-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131647

0 1
O -0.139887 -1.860914 -0.262405
N -3.350003 1.058662 0.943456
N 0.858971 0.267330 -0.313550
C -2.779952 -0.831826 -0.749262
C -1.566585 0.129951 -0.610378
C -3.983027 -0.000043 -1.270943
C -3.155001 -1.443272 0.630195
C -1.923404 1.166137 0.547556
C -4.223364 1.188202 -0.264421
C -3.583788 -0.274539 1.586230
C -0.237054 -0.601950 -0.381173
C 2.240553 -0.026408 -0.115921
C 3.151061 1.078727 -0.081035
C 2.718036 -1.355251 0.038853
C 4.525747 0.810311 0.108253
C 2.662045 2.509707 -0.241707
C 4.097141 -1.586268 0.225677
C 5.009372 -0.509021 0.261383
H -2.526724 -1.642599 -1.453130
H -1.469385 0.691723 -1.563946
H -4.876459 -0.649755 -1.332561
H -3.781651 0.378139 -2.291847
H -2.292734 -2.004497 1.027682
H -3.982782 -2.164133 0.493239
H -1.308059 0.973372 1.446292
H -1.726605 2.204521 0.218926
H -4.002984 2.163987 -0.735873
H -5.273512 1.217025 0.077254
H -4.656849 -0.332984 1.843633
H -3.015017 -0.298927 2.533490
H 0.635198 1.258420 -0.428425
H 2.004801 -2.180356 0.009249
H 5.227255 1.652891 0.135901
H 2.176076 2.680161 -1.224234
H 1.938101 2.797220 0.548106
H 3.505239 3.216638 -0.175625
H 4.454648 -2.615335 0.342864
H 6.079883 -0.689444 0.406097


