%chk=000056548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056548

0 1
 O   0.1731000       1.023600     -0.3947000    
 O    3.743500       1.135200     -0.7960000    
 O    1.543300       2.062200      -1.926900    
 N   -3.192000     -0.7306000      0.9803000    
 C   -4.525100     -0.1761000      0.6758000    
 C   -2.446400     -0.4531000     -0.2720000    
 C   -4.803400     -0.6235000     -0.7698000    
 C   -3.419500     -0.8823000      -1.376100    
 C   -4.385100       1.364800      0.7851000    
 C   -2.211200       1.049700     -0.3810000    
 C   -3.129900       1.892900      0.1288000    
 C   -3.227400      -2.146900       1.331800    
 C  -0.9694000       1.511300      -1.075600    
 C    2.541600      0.7907000     -9.4099998E-02
 C    2.615300       1.452300       1.323900    
 C    1.389700       1.372500     -0.9257000    
 C    2.411600     -0.7384000     -0.1000000    
 C    2.738000       2.982900       1.243100    
 C    3.787500      0.9302000       2.174400    
 C    3.044200      -1.445300      -1.093800    
 C    1.667700      -1.335900      0.8886000    
 C    2.925800      -2.835100      -1.099200    
 C    1.549500      -2.725700      0.8834000    
 C    2.178600      -3.475400     -0.1106000    
 H   -5.307500     -0.5150000       1.364200    
 H   -1.497100     -0.9978000     -0.3083000    
 H   -5.359800      0.1264000      -1.341700    
 H   -5.386200      -1.552100     -0.7832000    
 H   -3.307100      -1.949400      -1.602200    
 H   -3.283800     -0.3333000      -2.314500    
 H   -4.357600       1.652600       1.843600    
 H   -5.259300       1.851100      0.3372000    
 H   -2.996600       2.968400      7.2400004E-02
 H   -2.211100      -2.514200       1.512900    
 H   -3.688000      -2.785100      0.5712000    
 H   -3.782300      -2.284900       2.266300    
 H  -0.9281000       2.606800      -1.111900    
 H  -0.9727000       1.133900      -2.105400    
 H    1.686300       1.256900       1.873000    
 H    3.685200       3.298200      0.7941000    
 H    2.695400       3.419400       2.247700    
 H    1.918400       3.425000      0.6688000    
 H    3.798200       1.419200       3.154900    
 H    3.717400     -0.1460000       2.353200    
 H    4.750200       1.130600       1.692200    
 H    3.751500       2.093900     -0.9525000    
 H    3.617800     -0.9745000      -1.885100    
 H    1.148600     -0.7838000       1.662900    
 H    3.411800      -3.418900      -1.875500    
 H   0.9624000      -3.223900       1.649500    
 H    2.084400      -4.557300     -0.1161000    


%chk=000056548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056548

0 1
O 0.132764 1.701696 0.238217
O 3.307088 0.730527 -1.278701
O 0.824340 1.433835 -1.974227
N -2.896395 -1.164513 0.414552
C -4.326324 -0.715473 0.375500
C -2.261251 -0.178982 -0.515206
C -4.620944 -0.358452 -1.135890
C -3.205431 -0.155007 -1.773288
C -4.432247 0.527743 1.294842
C -2.288345 1.195331 0.156788
C -3.308283 1.504858 1.003586
C -2.690645 -2.576882 0.017917
C -1.232456 2.194662 -0.216150
C 2.350302 0.741646 -0.171079
C 2.950516 1.632700 0.972026
C 1.032077 1.332038 -0.735779
C 2.065120 -0.704281 0.313983
C 3.132360 3.094059 0.503852
C 4.292149 1.043966 1.462838
C 2.808119 -1.778621 -0.232509
C 1.101070 -0.970990 1.320747
C 2.592190 -3.100561 0.218283
C 0.885660 -2.293448 1.768348
C 1.630507 -3.364045 1.220764
H -4.984886 -1.519011 0.748997
H -1.229670 -0.486913 -0.752928
H -5.239378 0.552872 -1.214034
H -5.169955 -1.175302 -1.636459
H -2.947902 -0.982120 -2.459498
H -3.128445 0.787225 -2.342601
H -4.378103 0.213852 2.357079
H -5.416361 1.021821 1.159043
H -3.339027 2.486887 1.497547
H -1.610017 -2.802859 0.045135
H -3.076319 -2.839789 -0.996212
H -3.192719 -3.231581 0.752557
H -1.365905 3.154464 0.307823
H -1.161471 2.355517 -1.308076
H 2.220059 1.609634 1.803849
H 3.819499 3.135789 -0.359245
H 3.562566 3.702569 1.319914
H 2.172462 3.558632 0.211061
H 4.709168 1.678346 2.266326
H 4.171281 0.021209 1.860317
H 5.019408 1.008918 0.632978
H 2.781149 0.831659 -2.120865
H 3.556679 -1.556677 -0.998431
H 0.503936 -0.156024 1.742710
H 3.177798 -3.922121 -0.210205
H 0.130934 -2.483587 2.539797
H 1.463679 -4.389014 1.571409


