%chk=000112498.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112498

1 1
 O    2.320800      4.3499999E-02 -0.4515000    
 O    1.170700      -1.049100       1.227900    
 N  -0.9335000      0.9452000      0.2070000    
 C   -2.262000      -1.163000     -0.4799000    
 C  -1.2400000E-02 -1.3100000E-02 -0.5940000    
 C   -2.120100       1.343100     -0.6937000    
 C   -1.487500      0.2489000       1.459600    
 C  -0.8275000      -1.245000      -1.015900    
 C   -2.923100      9.3699999E-02  -1.053100    
 C   -2.205800      -1.034900       1.045800    
 C  -0.1838000       2.209900      0.6102000    
 C    1.203700     -0.4119000      0.1839000    
 C    3.562400     -0.2689000      0.1881000    
 C    4.698000      0.3016000     -0.6344000    
 H   -2.826800      -2.056200     -0.7674000    
 H   0.2921000      0.5447000      -1.489500    
 H   -1.710000       1.830300      -1.585600    
 H   -2.732900       2.065700     -0.1428000    
 H   -2.190400      0.9492000       1.927500    
 H  -0.6767000      7.4000001E-02   2.171200    
 H  -0.8490000      -1.304200      -2.111800    
 H  -0.3574000      -2.176500     -0.6766000    
 H   -3.946300      0.1908000     -0.6700000    
 H   -3.011400      1.5600000E-02  -2.143500    
 H   -1.689700      -1.901100       1.477500    
 H   -3.218200      -1.041000       1.467600    
 H  -0.8880000       2.885300       1.105200    
 H   0.6209000       1.940200       1.299300    
 H   0.2206000       2.674000     -0.2938000    
 H    3.575800      0.1694000       1.192300    
 H    3.670300      -1.356700      0.2643000    
 H    5.664600      8.0799997E-02 -0.1730000    
 H    4.686500     -0.1137000      -1.647600    
 H    4.593600       1.387000     -0.7347000    


%chk=000112498-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112498

1 1
O 2.360206 0.065719 -0.505328
O 1.435802 0.102561 1.638753
N -1.092381 1.014977 0.413965
C -2.058179 -1.173753 -0.635606
C 0.010404 0.275192 -0.390203
C -2.235142 1.340691 -0.580369
C -1.663691 0.091308 1.521603
C -0.517554 -1.144415 -0.790208
C -2.657394 0.062323 -1.352415
C -2.408568 -1.107698 0.873644
C -0.578138 2.311452 1.025579
C 1.329424 0.161413 0.389570
C 3.751874 -0.176493 0.058700
C 4.689498 -0.320245 -1.129526
H -2.459098 -2.100722 -1.077008
H 0.186797 0.892924 -1.287398
H -1.866268 2.139567 -1.245551
H -3.054851 1.749667 0.034200
H -2.330704 0.722660 2.131912
H -0.800394 -0.210870 2.133777
H -0.210554 -1.351067 -1.828514
H -0.061848 -1.921443 -0.150721
H -3.758172 -0.002285 -1.378756
H -2.308281 0.103490 -2.398967
H -2.102984 -2.040380 1.377547
H -3.500368 -1.009320 1.003419
H -1.439310 2.887887 1.397361
H 0.104216 2.075047 1.853229
H -0.051375 2.892172 0.251505
H 3.993929 0.687870 0.701104
H 3.697918 -1.083846 0.685003
H 5.716361 -0.491125 -0.759596
H 4.408402 -1.177688 -1.763237
H 4.697920 0.592031 -1.748868


