%chk=000028339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028339

0 1
 O   0.1470000       1.265600      0.6412000    
 O    1.887000      -2.782200     -0.8472000    
 O   -2.594900      -2.419200      1.8400000E-02
 O   -4.605000       1.838200      0.7958000    
 N    1.116800     -0.7686000      4.9100000E-02
 N  -0.3363000      -2.590600     -0.3549000    
 C    2.412300     -0.1599000     -0.1343000    
 C    2.342300      0.9598000      -1.176000    
 C    2.957100      0.3544000       1.200400    
 C    3.691100       1.653900      -1.346400    
 C    4.304400       1.050900       1.027300    
 C    4.233400       2.164000     -1.4400000E-02
 C   -1.154200     -0.7304000      0.9707000    
 C   7.4400000E-02  4.1700002E-02  0.5256000    
 C   0.9654000      -2.096100     -0.3972000    
 C   -2.378300      0.1796000       1.060300    
 C   -1.460600      -1.965300      0.1565000    
 C   -2.857500      0.5970000     -0.3237000    
 C   -4.087900       1.485100     -0.2629000    
 C   -4.656300       1.922100      -1.588300    
 H    3.128300     -0.9031000     -0.5063000    
 H    1.614000       1.738000     -0.9392000    
 H    2.029400      0.5421000      -2.141600    
 H    3.071300     -0.4834000       1.899900    
 H    2.274900       1.060600       1.685100    
 H    3.591800       2.488900      -2.049400    
 H    4.409400      0.9515000      -1.787200    
 H    5.058700      0.3148000      0.7230000    
 H    4.632900       1.464200       1.987600    
 H    5.230000       2.594700     -0.1624000    
 H    3.588300       2.969800      0.3570000    
 H  -0.9244000      -1.086300       1.985100    
 H   -2.158500       1.067200       1.666800    
 H   -3.189900     -0.3469000       1.580100    
 H  -0.4848000      -3.495100     -0.7939000    
 H   -2.079000       1.161600     -0.8479000    
 H   -3.128900     -0.2617000     -0.9435000    
 H   -4.966500       1.044800      -2.161300    
 H   -3.902600       2.487600      -2.141500    
 H   -5.527300       2.562400      -1.423100    


%chk=000028339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028339

0 1
O 0.065879 1.257855 0.749623
O 1.966256 -2.695015 -0.899524
O -2.574990 -2.642154 -0.001697
O -4.721565 1.850379 0.879526
N 1.103644 -0.713521 0.045419
N -0.291404 -2.623152 -0.389589
C 2.455341 -0.052239 -0.100444
C 2.461176 1.025668 -1.212331
C 2.979619 0.493543 1.248635
C 3.892987 1.591740 -1.383905
C 4.409156 1.060141 1.059089
C 4.446121 2.141922 -0.047199
C -1.253616 -0.786593 0.948002
C -0.000309 0.016639 0.551872
C 0.997032 -2.047509 -0.426046
C -2.527959 0.084372 1.026510
C -1.465060 -2.070718 0.144525
C -2.975545 0.645867 -0.334311
C -4.231175 1.517497 -0.231756
C -4.865730 1.948855 -1.549182
H 3.119833 -0.876134 -0.420429
H 1.766852 1.840934 -0.941598
H 2.110290 0.580514 -2.163362
H 2.987258 -0.318526 2.001205
H 2.312379 1.292247 1.618025
H 3.884878 2.386889 -2.153473
H 4.565817 0.791939 -1.756649
H 5.102935 0.237103 0.789391
H 4.768051 1.479456 2.018220
H 5.481502 2.507774 -0.186184
H 3.835632 3.011611 0.270813
H -1.036832 -1.138331 1.984092
H -2.344920 0.919590 1.721776
H -3.339722 -0.528554 1.453787
H -0.363000 -3.543214 -0.836946
H -2.175017 1.273880 -0.777865
H -3.177319 -0.167971 -1.059689
H -5.451322 1.105297 -1.965035
H -4.101371 2.216505 -2.300912
H -5.548483 2.797114 -1.385083


