%chk=000022687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022687

0 1
 O   -1.058600      -2.476100     -0.1773000    
 N   4.3900002E-02 -0.4090000      7.8400001E-02
 C  -0.9714000      0.4027000     -0.5336000    
 C    1.245200      0.2557000      0.5770000    
 C   -1.998800      0.9046000      0.4738000    
 C    2.339800      0.3459000     -0.4796000    
 C   -3.090600       1.747600     -0.1697000    
 C    3.603400       1.017800      3.8400002E-02
 C  -0.1128000      -1.789400      0.1927000    
 H   -1.485700     -0.1977000      -1.294000    
 H  -0.4966000       1.241000      -1.056200    
 H    1.621600     -0.3173000       1.433100    
 H   0.9731000       1.250800      0.9470000    
 H   -2.462200      5.3100001E-02  0.9868000    
 H   -1.500500       1.499300       1.248800    
 H    2.591200     -0.6596000     -0.8383000    
 H    1.971300      0.9022000      -1.349700    
 H   -3.639100       1.169600     -0.9203000    
 H   -3.804200       2.087100      0.5875000    
 H   -2.665500       2.630200     -0.6578000    
 H    4.023000      0.4623000      0.8831000    
 H    4.360700       1.062100     -0.7505000    
 H    3.394400       2.040300      0.3685000    
 H   0.7608000      -2.254000      0.6801000    


%chk=000022687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022687

0 1
O -1.164171 -2.502402 -0.161244
N 0.048713 -0.506840 0.112021
C -0.995463 0.320982 -0.532390
C 1.285465 0.135478 0.600444
C -1.992454 0.928494 0.483357
C 2.334250 0.388431 -0.509420
C -3.042045 1.820966 -0.212130
C 3.578074 1.123907 0.033111
C -0.146671 -1.869333 0.244367
H -1.543572 -0.329387 -1.237937
H -0.503829 1.125558 -1.112898
H 1.729474 -0.507790 1.385270
H 1.022803 1.096454 1.085565
H -2.492771 0.100729 1.019328
H -1.440135 1.518973 1.241618
H 2.626731 -0.582472 -0.953675
H 1.873572 0.981709 -1.323342
H -3.618578 1.245144 -0.959941
H -3.759450 2.234586 0.519044
H -2.565212 2.671864 -0.735138
H 4.071125 0.541722 0.834460
H 4.321943 1.290361 -0.766161
H 3.308507 2.111716 0.452540
H 0.706094 -2.369650 0.761349


