%chk=000037618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037618

0 1
 O  -0.5588000      0.6571000      -1.056400    
 O   0.3088000      7.7600002E-02   1.010600    
 O   -4.309500      -2.700900     -0.3428000    
 N    1.694200      0.3193000     -0.8615000    
 C    2.983900      3.7300002E-02 -0.3568000    
 C   -1.797800      0.6921000     -0.4944000    
 C   -3.856400     -0.4220000      0.1041000    
 C   -2.586000     -0.4585000     -0.4710000    
 C   -2.280100       1.879200      5.7000000E-02
 C    4.073800      8.7800004E-02  -1.211500    
 C    3.134200     -0.2836000      0.9831000    
 C   -4.338500      0.7650000      0.6556000    
 C   -3.550400       1.915500      0.6321000    
 C    5.346700     -0.1901000     -0.7137000    
 C    4.407200     -0.5613000       1.481000    
 C   0.4941000      0.3214000     -0.1763000    
 C    5.513400     -0.5146000      0.6326000    
 C   -4.678500      -1.621500      0.1283000    
 H   -2.196000      -1.375800     -0.9058000    
 H   -1.671600       2.779300      4.1400000E-02
 H    3.955200      0.3396000      -2.261800    
 H    2.327700     -0.3396000       1.699700    
 H    1.645900      0.5487000      -1.851300    
 H   -5.326300      0.8094000       1.107100    
 H   -3.925700       2.839900       1.061400    
 H    6.208200     -0.1536000      -1.374100    
 H    4.538600     -0.8142000       2.529200    
 H    6.504700     -0.7308000       1.020300    
 H   -5.673500      -1.530600      0.5964000    


%chk=000037618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037618

0 1
O -0.538708 -0.190970 -0.323185
O 0.699295 1.034275 1.313057
O -5.089869 -1.633914 -2.184136
N 1.694917 -0.289541 -0.380312
C 3.090586 -0.136198 -0.138184
C -1.857928 0.153139 0.075996
C -4.219656 -0.203819 -0.415404
C -2.856756 -0.462834 -0.700430
C -2.192173 1.030594 1.140965
C 3.976631 -0.820138 -1.012543
C 3.609306 0.655613 0.919341
C -4.572615 0.670736 0.646082
C -3.557571 1.278288 1.412616
C 5.370190 -0.713885 -0.832242
C 5.007939 0.750600 1.085140
C 0.649244 0.273674 0.320229
C 5.895995 0.073105 0.218948
C -5.289558 -0.844041 -1.223423
H -2.593726 -1.138203 -1.520514
H -1.406260 1.498762 1.734686
H 3.576028 -1.432584 -1.830500
H 2.927105 1.181005 1.590440
H 1.417284 -0.884501 -1.164369
H -5.629639 0.867323 0.862134
H -3.817864 1.954380 2.233640
H 6.043534 -1.245955 -1.512943
H 5.404003 1.362898 1.902852
H 6.978727 0.155673 0.359170
H -6.330960 -0.571381 -0.914612


