%chk=000029136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029136

0 1
 O   -2.612500       1.374500      0.1686000    
 O    3.693500       1.352600     -0.2192000    
 N    1.995000     -2.6300000E-02  8.1500001E-02
 N    2.473500       1.194000     -0.3299000    
 C   0.6202000     -0.3313000      6.2000002E-03
 C  -0.3276000      0.6852000      0.1260000    
 C   -1.687400      0.3831000      5.1600002E-02
 C   0.2081000      -1.649800     -0.1879000    
 C   -2.099300     -0.9354000     -0.1426000    
 C   -1.151600      -1.951800     -0.2623000    
 C    2.873300      -1.089900      0.6251000    
 C   -3.985300      0.9951000      8.2999997E-02
 H  -3.4000002E-02   1.719200      0.2903000    
 H   0.9132000      -2.467300     -0.3063000    
 H   -3.138000      -1.240000     -0.2110000    
 H   -1.471700      -2.978100     -0.4182000    
 H    3.135900      -1.805700     -0.1613000    
 H    2.396100      -1.617400       1.459600    
 H    3.807300     -0.6784000       1.024100    
 H   -4.269200      0.3242000      0.9008000    
 H   -4.226600      0.5768000     -0.9001000    
 H   -4.580300       1.907200      0.1968000    


%chk=000029136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029136

0 1
O -2.604276 1.405750 0.030134
O 3.574271 1.532355 0.432145
N 1.995489 -0.083048 0.247855
N 2.321600 1.285129 0.331381
C 0.601670 -0.396750 0.136282
C -0.366796 0.635653 0.131790
C -1.735620 0.305528 0.023241
C 0.195999 -1.756197 0.031546
C -2.157426 -1.046073 -0.081586
C -1.175694 -2.059546 -0.075296
C 3.040286 -1.120027 0.277346
C -4.040735 1.140024 -0.078446
H -0.074897 1.683482 0.211629
H 0.929091 -2.566290 0.032458
H -3.214987 -1.309747 -0.165864
H -1.486034 -3.107074 -0.155713
H 3.038817 -1.705020 -0.658838
H 2.894356 -1.797087 1.136795
H 4.004393 -0.595200 0.380767
H -4.403189 0.527887 0.770293
H -4.286900 0.635869 -1.033259
H -4.516819 2.130883 -0.049859


