%chk=000023845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023845

0 1
 O  -1.3000000E-03   3.182600      3.8600001E-02
 O   -3.089500      -1.255100      -1.776000    
 O   -3.652900      -1.801000      0.8908000    
 N    2.156400      0.1887000     -0.3489000    
 C   0.3901000       1.900600     -0.4507000    
 C    1.742800       1.493800      0.1467000    
 C  -0.6941000      0.9074000     -9.4099998E-02
 C    3.455600     -0.1867000      0.1959000    
 C    3.871100      -1.560800     -0.3235000    
 C   -1.395300      0.2795000      -1.109100    
 C  -0.9619000      0.6482000       1.238900    
 C    5.215100      -1.985600      0.2477000    
 C   -2.395300     -0.6358000     -0.7808000    
 C   -1.962100     -0.2669000       1.567200    
 C   -2.678800     -0.9089000      0.5573000    
 H   0.4811000       1.990400      -1.540500    
 H    1.703000       1.502500       1.242800    
 H    2.483300       2.256700     -0.1286000    
 H    4.214500      0.5534000     -8.6300001E-02
 H    3.406600     -0.2173000       1.291100    
 H    2.200000      0.2030000      -1.367600    
 H    3.115800      -2.309100     -5.3900000E-02
 H    3.936600      -1.546500      -1.418300    
 H   -1.178900      0.4885000      -2.153100    
 H  -0.4244000       1.147800       2.039000    
 H    6.001500      -1.276700     -3.0300001E-02
 H    5.176200      -2.045400       1.340100    
 H    5.495300      -2.971500     -0.1364000    
 H   0.7040000       3.811300     -0.1917000    
 H   -2.174600     -0.4683000       2.613800    
 H   -3.740400      -1.852700      -1.368600    
 H   -3.708000      -1.862200       1.859900    


%chk=000023845-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023845

0 1
O 0.150792 3.204948 0.609974
O -1.709665 -2.571932 -0.265837
O -4.012551 -1.644793 0.795955
N 2.362502 0.366596 -0.469622
C 0.439891 1.917196 -0.047679
C 1.799621 1.358647 0.463917
C -0.755477 1.001083 0.209976
C 3.553275 -0.362952 0.019284
C 4.039787 -1.391437 -1.020388
C -0.679470 -0.371953 -0.140891
C -1.948087 1.517904 0.770537
C 5.289481 -2.162542 -0.544970
C -1.783686 -1.213355 0.075058
C -3.061047 0.670649 0.987231
C -2.976299 -0.688155 0.638180
H 0.538578 2.085500 -1.147324
H 1.648807 0.875344 1.446640
H 2.488201 2.230251 0.634070
H 4.400017 0.321668 0.283675
H 3.269583 -0.889951 0.951870
H 2.523461 0.767866 -1.405087
H 3.212521 -2.093980 -1.234846
H 4.268298 -0.869203 -1.973271
H 0.245354 -0.779794 -0.561057
H -1.991728 2.574693 1.040753
H 6.136858 -1.476591 -0.356132
H 5.083993 -2.710755 0.393529
H 5.613890 -2.900104 -1.300855
H 0.926598 3.806815 0.480999
H -3.983501 1.074581 1.424399
H -2.578223 -2.999177 -0.042061
H -4.820276 -1.243167 1.195373


