%chk=000026621.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026621

0 1
 O  -0.4876000       1.651500      0.1641000    
 N   0.2905000     -0.6150000     -7.0299998E-02
 C    2.465100      0.6403000      5.5199999E-02
 C    1.683200     -0.5151000     -6.0600001E-02
 C   -2.046100     -2.5500000E-02   0.000000    
 C  -0.5996000      0.3104000      1.8999999E-02
 C    3.873500      0.5186000      4.1400000E-02
 C    2.344000      -1.756800     -0.1864000    
 C    1.950100       1.999400      0.1934000    
 C   -2.485400      -1.252100      0.5001000    
 C   -2.967900      0.8848000     -0.5184000    
 C    4.502400     -0.7184000     -8.4399998E-02
 C    3.733500      -1.862900     -0.1989000    
 C   0.6796000       2.395900      0.2372000    
 C   -3.844100      -1.567700      0.4817000    
 C   -4.326500      0.5694000     -0.5365000    
 C   -4.764600     -0.6568000     -3.6499999E-02
 H    4.506200       1.400900      0.1298000    
 H    1.758000      -2.670900     -0.2779000    
 H    2.698400       2.786800      0.2717000    
 H   -1.786300      -1.974000      0.9141000    
 H   -2.657800       1.841600     -0.9301000    
 H    5.586100     -0.7818000     -9.2200004E-02
 H    4.206300      -2.835100     -0.2975000    
 H   0.4099000       3.440000      0.3446000    
 H   -4.185600      -2.521900      0.8721000    
 H   -5.043300       1.276800     -0.9434000    
 H   -5.822300     -0.9027000     -5.1300000E-02


%chk=000026621-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026621

0 1
O -0.504344 1.816756 -0.066794
N 0.288887 -0.531187 0.023197
C 2.534788 0.665363 -0.018994
C 1.704937 -0.506871 0.038069
C -2.071998 0.016323 -0.019259
C -0.629004 0.372330 -0.018176
C 3.940941 0.495286 0.001705
C 2.315426 -1.781391 0.114151
C 2.003934 2.038218 -0.097790
C -2.441850 -1.356940 0.020461
C -3.089701 1.008523 -0.058809
C 4.540292 -0.784920 0.079092
C 3.722275 -1.931099 0.136302
C 0.726079 2.500642 -0.115754
C -3.799721 -1.728751 0.019676
C -4.449331 0.630214 -0.058420
C -4.810208 -0.736410 -0.019638
H 4.578637 1.386825 -0.042915
H 1.654562 -2.652551 0.155086
H 2.759620 2.832186 -0.147879
H -1.644007 -2.104677 0.051045
H -2.805614 2.062767 -0.089747
H 5.631367 -0.878349 0.093681
H 4.165767 -2.930426 0.196292
H 0.515867 3.572385 -0.175714
H -4.074198 -2.788971 0.049516
H -5.226839 1.401463 -0.088509
H -5.866863 -1.027038 -0.019875


