%chk=000046122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046122

0 1
 O    1.809700      1.4700000E-02 -0.9428000    
 O    2.340200     -0.5154000       1.258000    
 N   -2.715200      -1.346600     -9.4599999E-02
 N    3.918300     -0.7258000     -0.4294000    
 C   -1.729100     -0.3357000     -0.1019000    
 C   -2.036600      0.9639000      0.3013000    
 C   0.2440000       1.636400     -0.1290000    
 C  -0.4354000     -0.6491000     -0.5191000    
 C   -1.049900       1.949900      0.2879000    
 C   0.5511000      0.3370000     -0.5327000    
 C   -3.414300       1.326600      0.7515000    
 C    1.287200       2.704600     -0.1363000    
 C   -2.539600      -2.534800      0.7148000    
 C   -3.919700      -1.199900     -0.8857000    
 C    2.672200     -0.4239000      7.9800002E-02
 C    5.017100      -1.202000      0.3783000    
 H  -0.1873000      -1.657500     -0.8421000    
 H   -1.289300       2.963300      0.6017000    
 H   -3.830000      0.5707000       1.425500    
 H   -3.407900       2.264400       1.319300    
 H   -4.077600       1.471100     -0.1064000    
 H    2.000100       2.543700      0.6786000    
 H    1.826600       2.713700      -1.089300    
 H   0.8490000       3.700400     -8.3999997E-03
 H   -3.484300      -3.077100      0.8316000    
 H   -1.818300      -3.216100      0.2520000    
 H   -2.184500      -2.276100       1.718400    
 H   -4.772700     -0.9346000     -0.2535000    
 H   -3.809900     -0.4455000      -1.672900    
 H   -4.159400      -2.145800      -1.384600    
 H    4.071700     -0.6058000      -1.425800    
 H    5.335500      -2.170100     -1.5799999E-02
 H    4.726400      -1.305300       1.426300    
 H    5.839400     -0.4879000      0.2901000    


%chk=000046122-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046122

0 1
O 1.764383 -0.322484 -0.716350
O 2.710647 0.032919 1.439509
N -2.951383 -1.305309 0.150622
N 3.941570 -0.835189 -0.369475
C -1.893617 -0.345802 0.046033
C -2.135260 1.044422 0.305397
C 0.274086 1.560620 -0.110815
C -0.567000 -0.757660 -0.256558
C -1.052128 1.948720 0.203323
C 0.477835 0.178255 -0.319488
C -3.493403 1.552614 0.755483
C 1.404661 2.565842 -0.189210
C -2.581268 -2.705058 0.412509
C -4.085954 -1.187401 -0.789564
C 2.815933 -0.339692 0.248170
C 5.211133 -0.997944 0.341387
H -0.333785 -1.805873 -0.462493
H -1.243987 3.009806 0.408592
H -4.020587 0.777444 1.339910
H -3.380185 2.452217 1.385356
H -4.149523 1.833421 -0.092570
H 2.072467 2.474073 0.687816
H 2.023941 2.406273 -1.091144
H 1.013429 3.597095 -0.218343
H -3.478580 -3.253232 0.753836
H -2.182910 -3.238955 -0.483905
H -1.823403 -2.752936 1.212164
H -4.962099 -1.730785 -0.389371
H -4.369595 -0.134732 -0.930612
H -3.842405 -1.611720 -1.792216
H 3.857910 -1.098580 -1.351364
H 5.530770 -2.056589 0.358249
H 5.064098 -0.658800 1.379108
H 6.011708 -0.389579 -0.119184


