%chk=000047051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047051

1 1
 O   -2.929400      0.9105000      0.3523000    
 O   -3.152000      -1.233200     -0.5199000    
 N    3.061200      -1.193500     -8.7700002E-02
 N   -5.020100      7.0200004E-02 -7.9800002E-02
 C    2.669600      0.2164000      0.3306000    
 C    3.422200       1.198500     -0.5828000    
 C    2.539500      -1.469900      -1.490400    
 C    4.577600      -1.323200     -7.5700000E-02
 C    2.458500      -2.197200      0.8846000    
 C    1.168100      0.4028000      0.3364000    
 C    3.256000       2.651300     -0.1537000    
 C   0.4465000      3.7000000E-02   1.459100    
 C   0.5493000      0.9349000     -0.7814000    
 C  -0.9378000      0.2086000       1.464500    
 C  -0.8350000       1.106600     -0.7762000    
 C   -1.578700      0.7436000      0.3468000    
 C   -3.666100     -0.1915000     -0.1231000    
 C   -6.029600     -0.8719000     -0.5036000    
 H    3.046500      0.3553000       1.354400    
 H    3.162600       1.134500      -1.641900    
 H    4.503400       1.042500     -0.5285000    
 H    2.971100     -0.7812000      -2.217300    
 H    2.862400      -2.483400      -1.756100    
 H    1.447900      -1.455200      -1.503900    
 H    4.826800      -2.389300     -0.1083000    
 H    5.006200     -0.8595000     -0.9682000    
 H    4.968600     -0.8877000      0.8486000    
 H    2.723900      -1.908300       1.905700    
 H    1.378600      -2.265700      0.7366000    
 H    2.887700      -3.180600      0.6637000    
 H    3.895500       3.296700     -0.7657000    
 H    3.553000       2.786000      0.8917000    
 H    2.230500       3.011800     -0.2659000    
 H   0.9301000     -0.3571000       2.347600    
 H    1.077900       1.212800      -1.685300    
 H   -1.510400     -7.0900001E-02   2.344600    
 H   -1.329000       1.519900      -1.651500    
 H   -5.323400      0.9744000      0.2687000    
 H   -6.601600     -0.4163000      -1.315400    
 H   -6.693600      -1.063900      0.3427000    
 H   -5.582900      -1.808600     -0.8448000    


%chk=000047051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047051

1 1
O -3.001848 0.260079 -0.615169
O -3.858866 -0.718104 1.403002
N 3.389544 -1.188650 -0.253566
N -5.237938 0.099606 -0.320897
C 2.689404 0.187270 0.264103
C 3.411960 1.431999 -0.298991
C 3.285254 -1.343009 -1.764442
C 4.860306 -1.213375 0.154388
C 2.696180 -2.376177 0.408857
C 1.190522 0.168575 0.026872
C 2.917429 2.716658 0.410544
C 0.318693 -0.181275 1.091225
C 0.606573 0.555196 -1.212608
C -1.082903 -0.180696 0.947001
C -0.787549 0.557477 -1.382352
C -1.636343 0.185877 -0.307577
C -4.053328 -0.181600 0.290858
C -6.533328 -0.214965 0.299055
H 2.883264 0.126700 1.353130
H 3.238472 1.532752 -1.386046
H 4.503276 1.356833 -0.145610
H 3.779636 -0.492798 -2.255563
H 3.785156 -2.279550 -2.058360
H 2.224394 -1.379836 -2.048779
H 5.254982 -2.229008 -0.005970
H 5.432552 -0.502589 -0.456309
H 4.945653 -0.947898 1.219442
H 2.819870 -2.302625 1.500395
H 1.627513 -2.360549 0.157658
H 3.159852 -3.306112 0.043921
H 3.457072 3.594535 0.016681
H 3.101108 2.671382 1.499560
H 1.838427 2.878911 0.252336
H 0.737588 -0.446356 2.070530
H 1.232305 0.880009 -2.051802
H -1.735152 -0.455141 1.776556
H -1.241858 0.856362 -2.331146
H -5.203909 0.545818 -1.238711
H -7.112258 -0.909408 -0.334659
H -7.123494 0.703915 0.461751
H -6.346610 -0.694038 1.272194


