%chk=000044727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044727

0 1
 O  -1.7300000E-02   1.183000      -2.150900    
 N   -3.714100      0.4193000      0.9014000    
 N    1.294300       2.508200     -0.7573000    
 C   0.5089000      0.3759000      5.4299999E-02
 C  -3.9099999E-02   1.113000       1.305100    
 C   -2.308200      6.4900003E-02   1.129700    
 C   -1.533100       1.384400       1.189100    
 C  -0.4203000     -0.7668000     -0.3918000    
 C   -1.736000     -0.9051000      0.1077000    
 C    1.927400     -0.1152000      0.4197000    
 C   0.5478000       1.387900      -1.080000    
 C   4.2199999E-02  -1.692000      -1.354600    
 C   -2.502800      -2.013800     -0.3052000    
 C    2.090800      -1.040100       1.443100    
 C    3.023300      0.3741000     -0.2797000    
 C   -3.870000       1.050200     -0.4064000    
 C   -4.190500       1.303900       1.961300    
 C  -0.7473000      -2.760500      -1.773200    
 C   -2.016300      -2.927800      -1.239200    
 C    3.371800      -1.483600       1.772600    
 C    4.304300     -6.9200002E-02  4.9899999E-02
 C    4.478600     -0.9983000       1.075900    
 C    1.505700       3.607500      -1.671400    
 H   0.4795000       2.051300       1.529200    
 H   9.8300003E-02  0.5073000       2.211400    
 H   -2.219600     -0.4443000       2.100100    
 H   -1.799000       1.969300       2.077100    
 H   -1.672700       2.035600      0.3221000    
 H    1.035900      -1.589900      -1.785200    
 H   -3.500000      -2.173100      9.9299997E-02
 H    1.242800      -1.442800       1.989600    
 H    2.976700       1.015900      -1.148900    
 H   -3.427700      0.4850000      -1.232300    
 H   -3.516300       2.084600     -0.4643000    
 H   -4.942300       1.093700     -0.6371000    
 H   -5.286000       1.343400       1.919500    
 H   -3.845300       2.340700       1.883600    
 H   -3.943500      0.9148000       2.955800    
 H  -0.3665000      -3.463800      -2.507600    
 H   -2.632300      -3.766600      -1.549500    
 H    1.760200       2.586300      0.1399000    
 H    3.507100      -2.210300       2.568300    
 H    5.165000      0.2909000     -0.5063000    
 H    5.475300      -1.348100       1.328100    
 H    1.273400       4.537400      -1.146800    
 H   0.8749000       3.512700      -2.558300    
 H    2.558300       3.610100      -1.964600    


%chk=000044727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044727

0 1
O -0.355029 1.553481 -1.754176
N -3.761139 0.556740 0.619594
N 1.397286 2.553934 -0.607840
C 0.567228 0.361429 0.244537
C -0.014175 0.960208 1.570782
C -2.391054 0.204215 1.088858
C -1.469734 1.421812 1.380271
C -0.360487 -0.789295 -0.224031
C -1.736424 -0.820676 0.144005
C 2.024164 -0.128674 0.433859
C 0.500084 1.518511 -0.819417
C 0.145607 -1.814456 -1.062485
C -2.554418 -1.876433 -0.332626
C 2.460051 -0.698933 1.658872
C 2.952563 -0.095125 -0.643657
C -3.816924 1.287563 -0.663657
C -4.614105 1.159247 1.656918
C -0.677136 -2.856540 -1.533740
C -2.041587 -2.888134 -1.166829
C 3.772744 -1.199240 1.808814
C 4.265357 -0.594333 -0.499302
C 4.685355 -1.147710 0.731393
C 1.442859 3.745691 -1.462456
H 0.622196 1.796208 1.917120
H 0.006177 0.184329 2.359744
H -2.546811 -0.321033 2.058294
H -1.820437 1.938960 2.293050
H -1.531702 2.147687 0.549147
H 1.202646 -1.806546 -1.344662
H -3.612914 -1.859455 -0.050245
H 1.773717 -0.768905 2.508346
H 2.645936 0.322906 -1.609555
H -3.121981 0.829463 -1.386243
H -3.548264 2.368503 -0.576754
H -4.843241 1.227890 -1.071881
H -5.657600 1.200880 1.292639
H -4.321578 2.200564 1.945648
H -4.595192 0.534198 2.569152
H -0.256724 -3.635035 -2.180519
H -2.695500 -3.691133 -1.525837
H 2.110049 2.438645 0.114960
H 4.079714 -1.633811 2.766976
H 4.956158 -0.556002 -1.349273
H 5.703321 -1.536049 0.846917
H 1.329037 4.668869 -0.864980
H 0.607036 3.672917 -2.176560
H 2.391169 3.802669 -2.029971


