%chk=000131447.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131447

0 1
 O    1.261100       2.980000      0.2148000    
 N    1.461500      -1.874700     -3.0700000E-02
 N   -1.333200      -2.002400     -6.3100003E-02
 N   -2.328600       3.824500      0.2223000    
 C   0.7042000     -0.7557000      1.9200001E-02
 C  -0.6823000     -0.8190000      3.1000001E-03
 C    1.259000      0.5571000      9.0999998E-02
 C   -1.355900      0.4376000      6.0699999E-02
 C    2.656900      0.1039000      8.0899999E-02
 C    2.735400      -1.326000      9.2000002E-03
 C   -2.706300     -0.1408000      1.8600000E-02
 C   0.5933000       1.793300      0.1477000    
 C  -0.8071000       1.729400      0.1313000    
 C   -2.652400      -1.571900     -5.3500000E-02
 C    1.166900      -3.282600     -0.1071000    
 C    3.871700      0.8281000      0.1289000    
 C    3.969200      -1.992900     -1.3400000E-02
 C   -3.982600      0.4696000      3.7599999E-02
 C   -3.819400      -2.348400     -0.1036000    
 C    5.095900      0.1529000      0.1060000    
 C    5.141400      -1.235000      3.5900000E-02
 C   -5.139400     -0.3143000     -1.2800000E-02
 C   -5.056700      -1.700400     -8.2199998E-02
 C   -1.642300       2.879400      0.1813000    
 C    1.589900       3.608300      -1.022000    
 H   -1.028500      -2.957000     -0.1083000    
 H    2.086100      -3.869700     -0.1301000    
 H   0.6191000      -3.584700      0.7889000    
 H   0.6347000      -3.488800      -1.038800    
 H    3.866500       1.913100      0.1877000    
 H    4.042800      -3.073700     -6.7500003E-02
 H   -4.088800       1.548500      9.1300003E-02
 H   -3.767400      -3.431500     -0.1580000    
 H    6.021500      0.7210000      0.1443000    
 H    6.104200      -1.739700      1.9300001E-02
 H   -6.113600      0.1671000      2.4999999E-03
 H   -5.968600      -2.290900     -0.1206000    
 H   0.6816000       3.920300      -1.546600    
 H    2.175400       2.936600      -1.657700    
 H    2.190500       4.496100     -0.8059000    


%chk=000131447-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131447

0 1
O 1.587793 2.617681 -0.314379
N 1.709323 -2.009262 0.054177
N -1.556477 -2.067076 0.016389
N -2.242206 3.609734 -0.431695
C 0.767910 -0.972333 -0.039996
C -0.644008 -0.998597 -0.056087
C 1.453968 0.279169 -0.131583
C -1.370824 0.226389 -0.162263
C 2.877907 -0.013939 -0.092319
C 3.004552 -1.442857 0.022614
C -2.787777 -0.125150 -0.153140
C 0.741105 1.510520 -0.237595
C -0.686542 1.497426 -0.253198
C -2.861775 -1.559640 -0.040932
C 1.400747 -3.434057 0.165475
C 4.046486 0.784518 -0.142464
C 4.262008 -2.078123 0.086169
C -3.996887 0.616055 -0.227655
C -4.088534 -2.255285 -0.002371
C 5.306517 0.153651 -0.078694
C 5.412114 -1.260298 0.034187
C -5.224746 -0.073050 -0.189772
C -5.271770 -1.492187 -0.078332
C -1.496521 2.674142 -0.352482
C 1.073541 3.990933 -0.441002
H -1.318712 -3.051210 0.094494
H 2.337259 -4.005521 0.245845
H 0.803639 -3.645294 1.073053
H 0.861219 -3.801272 -0.728621
H 3.957314 1.869675 -0.228693
H 4.363161 -3.165241 0.171553
H -3.981446 1.705455 -0.312945
H -4.126588 -3.346917 0.083124
H 6.218773 0.758665 -0.116418
H 6.402823 -1.726001 0.081489
H -6.161193 0.491744 -0.246828
H -6.242620 -1.999476 -0.051198
H 0.466273 4.274430 0.435234
H 0.481469 4.114121 -1.363702
H 1.978422 4.615177 -0.488840


