%chk=000095277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095277

0 1
 O   -1.201300      0.8269000      0.8871000    
 O    1.175300      0.8512000     -0.7608000    
 N   -2.387300     -0.9030000     -0.1688000    
 N    2.397200     -0.9098000      0.1978000    
 C   -3.727400     -0.4507000     -0.1117000    
 C    3.734300     -0.4534000      0.1094000    
 C   5.0000002E-04  -1.071500      5.1600002E-02
 C   -6.349500      0.4334000     -5.0000002E-04
 C    6.350400      0.4384000     -6.3400000E-02
 C   -1.253400     -0.2524000      0.3049000    
 C    1.247700     -0.2468000     -0.2165000    
 C   -4.733500      -1.247800     -0.6317000    
 C    4.758100      -1.264700      0.5693000    
 C   -4.003600      0.7787000      0.4628000    
 C    3.989700      0.7940000     -0.4352000    
 C   -6.054100     -0.8023000     -0.5758000    
 C    6.075800     -0.8154000      0.4823000    
 C   -5.324300       1.224000      0.5187000    
 C    5.307500       1.243100     -0.5223000    
 C   -7.761600      0.9095000      5.9900001E-02
 C    7.759300      0.9186000     -0.1570000    
 H   0.1465000      -1.706700      0.9331000    
 H  -0.1365000      -1.727700     -0.8158000    
 H   -2.260800      -1.813100     -0.6062000    
 H    2.285000      -1.833200      0.6105000    
 H   -4.514400      -2.212200      -1.081500    
 H    4.555100      -2.243200      0.9955000    
 H   -3.267900       1.448700      0.8821000    
 H    3.239700       1.475400     -0.8080000    
 H   -6.844400      -1.428100     -0.9821000    
 H    6.879900      -1.452300      0.8414000    
 H   -5.543600       2.188100      0.9703000    
 H    5.510500       2.221400     -0.9505000    
 H   -7.812600       2.002300      7.4999998E-03
 H   -8.346100      0.5212000     -0.7811000    
 H   -8.229200      0.5806000      0.9933000    
 H    8.194700      0.6206000      -1.116000    
 H    7.811200       2.009400     -7.1500003E-02
 H    8.372700      0.5048000      0.6506000    


%chk=000095277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095277

0 1
O -2.004492 -2.250730 2.115201
O 0.617561 -0.749895 -0.959867
N -1.914447 -1.006875 0.110767
N 2.235029 -1.338089 0.633769
C -3.195220 -0.385608 0.073249
C 3.361222 -0.561568 0.216315
C 0.019402 -2.396408 0.757929
C -5.726812 0.932755 -0.148722
C 5.697606 0.928573 -0.488324
C -1.403143 -1.855767 1.070172
C 0.975599 -1.418853 0.069119
C -3.467242 0.478904 -1.020552
C 4.547837 -0.673464 0.987165
C -4.193580 -0.587967 1.062665
C 3.339801 0.300185 -0.910467
C -4.714082 1.125586 -1.123959
C 5.695198 0.064040 0.636970
C -5.435261 0.070520 0.938519
C 4.501203 1.028762 -1.242713
C -7.081902 1.606736 -0.279242
C 6.944678 1.699835 -0.882650
H 0.414655 -2.777708 1.713865
H -0.107820 -3.267991 0.084689
H -1.246290 -0.765579 -0.645063
H 2.389672 -1.910438 1.467316
H -2.697838 0.647386 -1.784540
H 4.572899 -1.332925 1.864921
H -3.984674 -1.245165 1.908873
H 2.426602 0.392513 -1.500125
H -4.902526 1.791625 -1.974772
H 6.600885 -0.032508 1.247328
H -6.196476 -0.092212 1.711705
H 4.472040 1.694630 -2.113736
H -7.531034 1.807052 0.709676
H -7.007336 2.567016 -0.819838
H -7.794289 0.969371 -0.839225
H 7.566189 1.118123 -1.591215
H 6.690855 2.653452 -1.378007
H 7.575134 1.928684 -0.005494


