%chk=000006839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006839

0 1
 O  -0.9293000       2.020700      0.9836000    
 O   -2.995300      -1.652200     -0.9137000    
 N   -2.214900      0.3933000     -9.0700001E-02
 C  -0.2706000     -0.3115000       1.002900    
 C   -1.016500      -1.531800      0.4550000    
 C   -1.157600      0.8628000      0.6592000    
 C    1.076700     -0.1577000      0.3823000    
 C   -2.200400     -0.9700000     -0.2819000    
 C   -3.238600       1.270100     -0.6266000    
 C    2.198400     -0.7056000       1.005100    
 C    1.215800      0.5343000     -0.8208000    
 C    3.458700     -0.5614000      0.4249000    
 C    2.476100      0.6784000      -1.401100    
 C    3.597400      0.1306000     -0.7782000    
 H  -0.1942000     -0.3659000       2.095700    
 H   -1.387800      -2.155900       1.275000    
 H  -0.4177000      -2.150900     -0.2206000    
 H   -2.763900       1.985200      -1.305000    
 H   -3.690400       1.828700      0.1984000    
 H   -4.004700      0.7019000      -1.159300    
 H    2.102900      -1.248600       1.941700    
 H   0.3669000      0.9571000      -1.349700    
 H    4.331700     -0.9887000      0.9093000    
 H    2.584100       1.212700      -2.340600    
 H    4.578500      0.2416000      -1.230800    


%chk=000006839-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006839

0 1
O -0.921441 1.821000 1.359458
O -3.270593 -1.323146 -1.194660
N -2.290033 0.463436 0.002717
C -0.280290 -0.556682 0.834189
C -1.110890 -1.604446 0.040274
C -1.149652 0.726580 0.796157
C 1.127200 -0.295115 0.296875
C -2.347367 -0.867608 -0.479169
C -3.326570 1.466890 -0.266693
C 2.236896 -0.286286 1.175601
C 1.343384 -0.036918 -1.081781
C 3.539874 -0.034114 0.689348
C 2.643350 0.215495 -1.569959
C 3.747551 0.216239 -0.685683
H -0.195997 -0.845819 1.897335
H -1.441992 -2.448595 0.669814
H -0.556045 -2.036482 -0.808929
H -2.899566 2.320223 -0.819887
H -3.748087 1.841786 0.680847
H -4.113104 0.983765 -0.867904
H 2.080838 -0.471703 2.245132
H 0.496413 -0.026829 -1.779866
H 4.388849 -0.032056 1.381878
H 2.795938 0.415226 -2.636507
H 4.756635 0.412359 -1.064485


