%chk=000126991.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126991

1 1
 O    2.673800     -0.4003000      0.2228000    
 O    4.248400       1.061900     -0.6257000    
 N   -2.179500     -2.4800001E-02  1.7500000E-02
 C  -0.8730000      0.6708000     -0.3367000    
 C   -3.350700      0.8464000     -0.4129000    
 C   -2.252500      -1.364200     -0.7014000    
 C   -2.241900     -0.2522000       1.521100    
 C   0.2903000     -0.1899000      0.1254000    
 C   -3.272900       2.176100      0.3049000    
 C   -3.553100      -2.050600     -0.3455000    
 C    1.626300      0.4378000     -0.2452000    
 C    3.945000      3.3300001E-02 -3.6400001E-02
 C    4.939800     -0.9442000      0.5121000    
 H  -0.8589000      0.8309000      -1.420800    
 H  -0.8183000       1.633800      0.1770000    
 H   -3.308700      0.9704000      -1.500600    
 H   -4.288900      0.3612000     -0.1327000    
 H   -2.168800      -1.185600      -1.778800    
 H   -1.440700      -2.012700     -0.3679000    
 H   -1.786800      0.5971000       2.040600    
 H   -3.285700     -0.3509000       1.835500    
 H   -1.696900      -1.166500       1.776700    
 H   0.2989000      -1.183100     -0.3297000    
 H   0.2887000     -0.3471000       1.209500    
 H   -4.191300       2.736100      8.8500001E-02
 H   -3.218800       2.102100       1.393300    
 H   -2.460400       2.812200     -5.6200001E-02
 H   -3.534800      -3.062400     -0.7698000    
 H   -3.718100      -2.179900      0.7265000    
 H   -4.428000      -1.570100     -0.7913000    
 H    1.717500       1.427000      0.2191000    
 H    1.702500      0.5445000      -1.333900    
 H    4.804300      -1.917900      3.4699999E-02
 H    4.819900      -1.026100       1.595300    
 H    5.952400     -0.5896000      0.2991000    


%chk=000126991-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126991

1 1
O 2.772360 -0.452098 0.184229
O 4.228381 1.269282 -0.394770
N -2.223789 -0.054496 0.126620
C -0.838755 0.547550 -0.225779
C -3.332609 0.897002 -0.410418
C -2.366592 -1.437048 -0.573652
C -2.359130 -0.214521 1.638557
C 0.377884 -0.326355 0.124811
C -3.295335 2.331709 0.128547
C -3.718498 -2.135560 -0.391112
C 1.665180 0.478777 -0.123054
C 4.072264 0.096268 -0.003847
C 5.130596 -0.923032 0.330649
H -0.867864 0.761034 -1.309795
H -0.780050 1.508430 0.312341
H -3.228755 0.885569 -1.509946
H -4.290631 0.420847 -0.148240
H -2.156469 -1.254005 -1.642423
H -1.559414 -2.066226 -0.166015
H -2.033702 0.712268 2.132401
H -3.409570 -0.417838 1.891842
H -1.730898 -1.051534 1.975185
H 0.425536 -1.236984 -0.496725
H 0.368128 -0.638477 1.184885
H -4.169641 2.862486 -0.288282
H -3.389182 2.382060 1.226386
H -2.403408 2.897346 -0.185534
H -3.643228 -3.128506 -0.868980
H -3.971464 -2.313208 0.667585
H -4.555087 -1.612310 -0.880965
H 1.738572 1.367768 0.531889
H 1.752157 0.821260 -1.171951
H 5.017785 -1.816521 -0.307393
H 5.027831 -1.253236 1.378778
H 6.126500 -0.484201 0.178281


