%chk=000028386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028386

0 1
 O  -0.7345000     -0.7200000      -1.542000    
 O    1.457000       1.115600       2.537400    
 N   -3.198200      -2.204200      0.7437000    
 C   0.4252000      0.1124000      -1.380500    
 C  -5.7399999E-02   1.394900     -0.7177000    
 C    1.507700     -0.6338000     -0.6094000    
 C   0.3095000       1.738300      0.5892000    
 C    1.866700     -0.2779000      0.6963000    
 C   0.9499000      0.4438000      -2.791800    
 C    1.223500      0.8728000       1.359200    
 C   -1.330100      -1.007200     -0.2903000    
 C  -0.9172000       2.270700      -1.411000    
 C    2.157700      -1.740400      -1.192200    
 C  -0.1723000       2.913000       1.187000    
 C    2.843900      -1.001800       1.396300    
 C   -2.561200      -1.868800     -0.5211000    
 C   -1.394600       3.441000     -0.8188000    
 C    3.132000      -2.459400     -0.4983000    
 C   -1.023000       3.760700      0.4814000    
 C    3.474300      -2.089800      0.7968000    
 C   -4.360300      -3.069000      0.5254000    
 C   -3.598700     -0.9909000       1.460100    
 H    1.821000       1.108900      -2.753100    
 H    1.233400     -0.4515000      -3.355100    
 H   0.1927000      0.9138000      -3.427800    
 H  -0.6452000      -1.555600      0.3653000    
 H   -1.646500     -8.5699998E-02  0.1960000    
 H   -1.265100       2.040400      -2.414100    
 H    1.892000      -2.086600      -2.187100    
 H   0.1085000       3.186700       2.200700    
 H    3.129500     -0.7309000       2.409400    
 H   -3.250700      -1.352900      -1.203400    
 H   -2.249200      -2.783100      -1.042800    
 H   -2.063700       4.094800      -1.370300    
 H    3.613900      -3.312600     -0.9665000    
 H   -1.394500       4.669000      0.9465000    
 H    4.229800      -2.648500       1.341100    
 H   -4.062500      -3.991000      1.3600000E-02
 H   -5.135000      -2.576200     -7.3100001E-02
 H   -4.801400      -3.371500       1.481700    
 H   -2.739900     -0.4712000       1.896300    
 H   -4.232200      -1.246900       2.318600    
 H   -4.164900     -0.2968000      0.8284000    


%chk=000028386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028386

0 1
O -0.784664 -0.661601 -1.409632
O 2.817132 2.047472 1.833369
N -3.494669 -2.429559 0.467372
C 0.421611 0.182049 -1.188933
C 0.036811 1.521903 -0.549396
C 1.490099 -0.585187 -0.401706
C 0.846947 2.143888 0.439829
C 2.293134 0.045158 0.588171
C 0.937034 0.437595 -2.631615
C 2.051475 1.460316 1.002606
C -1.489609 -1.078681 -0.179450
C -1.120883 2.194444 -1.012240
C 1.733104 -1.943305 -0.721555
C 0.500322 3.429565 0.937254
C 3.333653 -0.682090 1.227941
C -2.764322 -1.792344 -0.652550
C -1.465610 3.464835 -0.507690
C 2.759412 -2.662566 -0.076324
C -0.647051 4.091188 0.466975
C 3.570693 -2.027596 0.898616
C -4.450329 -3.452743 -0.004216
C -4.142443 -1.455370 1.370561
H 1.843918 1.065740 -2.616101
H 1.175258 -0.523796 -3.116753
H 0.156737 0.949051 -3.219885
H -0.866065 -1.776116 0.412527
H -1.716481 -0.188037 0.439998
H -1.750750 1.701891 -1.760966
H 1.098189 -2.429164 -1.470421
H 1.152153 3.875410 1.695703
H 3.932189 -0.160323 1.981849
H -3.401923 -1.067688 -1.221481
H -2.460623 -2.582934 -1.363381
H -2.367614 3.969687 -0.871406
H 2.929824 -3.714881 -0.329840
H -0.911333 5.081058 0.854042
H 4.371839 -2.585139 1.395396
H -3.918247 -4.212295 -0.603823
H -5.279681 -3.034367 -0.630615
H -4.905836 -3.961478 0.864382
H -3.393494 -0.773482 1.807502
H -4.629132 -1.994156 2.202888
H -4.920876 -0.833750 0.856999


