%chk=000029966.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029966

0 1
 O   0.6805000     -1.8700000E-02  6.8099998E-02
 O  -0.7784000     -0.2616000       1.812500    
 N    3.469900     -0.5933000     -0.2281000    
 N   -1.503000     -0.1705000     -0.4118000    
 C    2.988000      0.7318000      0.1322000    
 C    1.645900      0.6521000      0.8787000    
 C    2.880700       1.600300      -1.128300    
 C    1.128400       2.055000       1.211700    
 C    2.356000       2.995900     -0.7919000    
 C    3.595800      -1.476000      0.9313000    
 C    4.804400     -0.5587000     -0.8257000    
 C    1.033100       2.940100     -3.2299999E-02
 C    4.451900      -2.615900      0.3998000    
 C    5.248900      -2.012200     -0.7526000    
 C  -0.5723000     -0.1620000      0.6090000    
 C   -2.907100     -0.2966000     -0.3085000    
 C   -3.484100      -1.558400     -0.3412000    
 C   -3.687600      0.8435000     -0.1767000    
 C   -4.869700      -1.682800     -0.2403000    
 C   -5.073200      0.7190000     -7.5700000E-02
 C   -2.659800      -2.797000     -0.4833000    
 C   -3.083900       2.210200     -0.1394000    
 C   -5.664200     -0.5442000     -0.1075000    
 H    3.709700       1.214000      0.8087000    
 H    1.762000      0.1057000       1.822600    
 H    2.216000       1.131100      -1.865300    
 H    3.854100       1.731900      -1.613300    
 H    1.819000       2.525200       1.923800    
 H   0.1504000       2.039000       1.702000    
 H    2.225900       3.573000      -1.714400    
 H    3.100100       3.527900     -0.1860000    
 H    2.635200      -1.864900       1.283200    
 H    4.111000     -0.9862000       1.767600    
 H    5.497800      6.8899997E-02 -0.2513000    
 H    4.801800     -0.2231000      -1.867200    
 H   0.7381000       3.953800      0.2621000    
 H   0.2469000       2.563500     -0.6973000    
 H    3.824600      -3.434300      2.7000001E-02
 H    5.107300      -3.022200       1.176800    
 H    6.327700      -2.093900     -0.5853000    
 H    5.012000      -2.540800      -1.683500    
 H   -1.147800     -6.6399999E-02  -1.358900    
 H   -5.347000      -2.658900     -0.2625000    
 H   -5.707500       1.595300      2.9100001E-02
 H   -2.021400      -2.933200      0.3957000    
 H   -3.283100      -3.692800     -0.5792000    
 H   -2.034200      -2.742900      -1.380500    
 H   -2.461900       2.328800      0.7537000    
 H   -2.473800       2.386200      -1.031500    
 H   -3.849300       2.993600     -0.1132000    
 H   -6.743100     -0.6409000     -2.8500000E-02


%chk=000029966-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000029966

0 1
O 0.476843 1.502078 0.369572
O -0.378223 -0.309684 1.630577
N 2.616779 -0.497179 -0.044859
N -1.411020 0.488854 -0.341336
C 2.885483 0.920526 0.287330
C 1.741822 1.509054 1.161760
C 3.100956 1.807293 -0.963028
C 2.012084 2.970942 1.553581
C 3.388735 3.276383 -0.566857
C 2.681623 -1.421430 1.129738
C 3.497705 -1.115058 -1.073385
C 2.263980 3.863491 0.316727
C 2.805125 -2.846547 0.516382
C 3.124495 -2.610744 -0.994601
C -0.433838 0.460161 0.639905
C -2.578670 -0.345241 -0.398711
C -2.463020 -1.766078 -0.408480
C -3.847181 0.300677 -0.507442
C -3.656647 -2.527302 -0.491040
C -5.009389 -0.498479 -0.607415
C -1.120074 -2.464636 -0.356885
C -3.947851 1.816187 -0.504548
C -4.919471 -1.907531 -0.588817
H 3.815958 1.000243 0.920139
H 1.570236 0.885687 2.057599
H 2.192161 1.755209 -1.592796
H 3.946054 1.420065 -1.560844
H 2.901774 2.987986 2.216005
H 1.158032 3.348606 2.145338
H 3.516015 3.888703 -1.480286
H 4.350605 3.323938 -0.014181
H 1.781138 -1.309203 1.755121
H 3.579816 -1.193511 1.759927
H 4.584391 -0.973699 -0.833338
H 3.310012 -0.685967 -2.071846
H 2.523757 4.889787 0.639562
H 1.329877 3.932374 -0.273069
H 1.868286 -3.416580 0.635963
H 3.607311 -3.417818 1.016008
H 3.936098 -3.259485 -1.368438
H 2.226228 -2.799511 -1.608362
H -1.332591 1.263618 -1.003668
H -3.583458 -3.621235 -0.495155
H -5.988142 -0.010965 -0.686527
H -0.735682 -2.490514 0.679088
H -1.203978 -3.499121 -0.732427
H -0.358787 -1.929127 -0.953279
H -3.394758 2.255000 0.346405
H -3.532336 2.266318 -1.429185
H -5.000334 2.137985 -0.433627
H -5.827231 -2.517122 -0.657895


