%chk=000045555.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045555

0 1
 O    6.395700     -0.6239000      0.1933000    
 O    6.081500       1.518900     -0.1659000    
 N   -2.365400      -2.134500     -0.1002000    
 N    5.637100      0.3646000      4.5400001E-02
 C   -2.104400     -0.9411000     -0.9486000    
 C   -2.780000      0.3457000     -0.4558000    
 C   -3.626300      0.3470000      0.5947000    
 C   -2.491700       1.615500      -1.229200    
 C   -4.009600     -0.9351000       1.278000    
 C   -4.272600       1.596700       1.137800    
 C   -3.745700      -2.153800      0.3969000    
 C   -3.468800       2.754900     -0.9367000    
 C  -0.5819000     -0.7288000      -1.034900    
 C   -3.698900       2.889700      0.5611000    
 C  -3.1999999E-03 -0.4135000      0.3372000    
 C   -2.095200      -3.387600     -0.8143000    
 C    1.488200     -0.2078000      0.2609000    
 C    2.335200      -1.293700      0.4237000    
 C    1.989300       1.064400      2.8200001E-02
 C    3.715100      -1.103300      0.3525000    
 C    3.369300       1.254900     -4.3099999E-02
 C    4.232300      0.1710000      0.1189000    
 H   -2.493900      -1.126800      -1.959600    
 H   -1.478100       1.958300     -0.9903000    
 H   -2.519700       1.406900      -2.305300    
 H   -3.454700      -1.017200       2.220700    
 H   -5.077200     -0.9194000       1.528700    
 H   -5.346800       1.552500      0.9184000    
 H   -4.168200       1.624100       2.229000    
 H   -3.920100      -3.050900       1.004100    
 H   -4.461800      -2.182300     -0.4360000    
 H   -3.074600       3.692800      -1.344100    
 H   -4.424400       2.563500      -1.441200    
 H  -0.3504000      8.1100002E-02  -1.738900    
 H  -8.5800000E-02  -1.607800      -1.463000    
 H   -4.381400       3.721900      0.7669000    
 H   -2.749100       3.125900       1.057700    
 H  -0.2062000      -1.221300       1.051500    
 H  -0.4522000      0.4855000      0.7758000    
 H   -2.713700      -3.490800      -1.713200    
 H   -2.292500      -4.248400     -0.1648000    
 H   -1.044500      -3.471700      -1.105300    
 H    1.941700      -2.290300      0.6034000    
 H    1.324900       1.914000     -0.1016000    
 H    4.357000      -1.970900      0.4828000    
 H    3.736200       2.261500     -0.2271000    


%chk=000045555-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045555

0 1
O 6.515809 -0.928044 0.133333
O 6.338995 1.336648 -0.080580
N -2.364559 -2.098636 -0.141085
N 5.820287 0.160314 0.062620
C -2.113863 -0.879778 -0.963749
C -2.868055 0.360417 -0.474680
C -3.675308 0.350737 0.624916
C -2.656739 1.620975 -1.309166
C -3.945455 -0.942821 1.373206
C -4.382527 1.594498 1.146936
C -3.718114 -2.154133 0.459026
C -3.718370 2.707013 -1.026950
C -0.576823 -0.600157 -1.030385
C -3.884881 2.903621 0.495273
C 0.026482 -0.272822 0.362930
C -2.045151 -3.346561 -0.864890
C 1.535492 -0.151925 0.314386
C 2.357569 -1.311116 0.390775
C 2.166380 1.112726 0.156744
C 3.759045 -1.221856 0.309862
C 3.566721 1.227860 0.072621
C 4.347823 0.053073 0.148851
H -2.442038 -1.062580 -2.024519
H -1.647205 2.044502 -1.114225
H -2.663443 1.353332 -2.386395
H -3.290064 -1.020565 2.264778
H -4.990345 -0.949020 1.745147
H -5.475696 1.480776 0.977506
H -4.259763 1.643522 2.249118
H -3.794862 -3.095125 1.035974
H -4.519029 -2.176762 -0.324678
H -3.427363 3.656265 -1.515643
H -4.689912 2.399708 -1.463174
H -0.384654 0.230391 -1.735407
H -0.061549 -1.483963 -1.451423
H -4.589113 3.729119 0.711600
H -2.906764 3.188955 0.932479
H -0.286134 -1.084517 1.046449
H -0.423652 0.665035 0.739195
H -2.704417 -3.514929 -1.753736
H -2.163511 -4.207646 -0.183278
H -0.999586 -3.340728 -1.217114
H 1.886090 -2.291633 0.525585
H 1.547648 2.016097 0.104062
H 4.401457 -2.104207 0.372669
H 4.063644 2.194344 -0.046464


