%chk=000128192.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128192

0 1
 O    1.918900      0.1342000     -0.6329000    
 O    1.970000     -0.3766000       1.618800    
 O   -4.444700     -0.6343000     -0.4569000    
 O   0.4361000       3.237100      0.2589000    
 N   0.8485000       1.015900     -0.3390000    
 C    3.548300      -1.453700      9.4400004E-02
 C    4.045800      -2.196300       1.341600    
 C    3.049500      -2.483500     -0.9323000    
 C    4.687600     -0.6391000     -0.5314000    
 C    2.396000     -0.5186000      0.4785000    
 C  -0.5144000      0.5912000     -0.3692000    
 C   -1.420600       1.204000      0.4699000    
 C  -0.8769000     -0.4175000      -1.236500    
 C    1.208300       2.318900     -1.9900000E-02
 C   -3.145600     -0.2298000     -0.4273000    
 C   -2.751900      0.7885000      0.4406000    
 C   -2.208200     -0.8329000      -1.265800    
 C    2.693900       2.608300     -3.2299999E-02
 C   -5.188400     -0.5195000      0.7555000    
 C   -6.252300      -1.596300      0.7851000    
 H    4.866400      -2.879800       1.096600    
 H    4.412000      -1.494400       2.099800    
 H    3.244000      -2.786000       1.800900    
 H    2.189700      -3.040600     -0.5423000    
 H    3.834200      -3.205600      -1.184200    
 H    2.728200      -2.005400      -1.864600    
 H    5.031800      0.1426000      0.1555000    
 H    5.545400      -1.277200     -0.7716000    
 H    4.374200     -0.1429000      -1.456800    
 H   -1.156300       1.953800       1.206100    
 H  -0.1585000     -0.8927000      -1.897800    
 H   -3.452000       1.293200       1.099700    
 H   -2.509400      -1.626000      -1.944700    
 H    3.178500       2.130500      0.8222000    
 H    2.851900       3.688700      4.4500001E-02
 H    3.149300       2.270800     -0.9671000    
 H   -4.553400     -0.6613000       1.639000    
 H   -5.659800      0.4686000      0.7965000    
 H   -6.850100      -1.531300       1.698600    
 H   -6.918000      -1.504200     -7.9400003E-02
 H   -5.796500      -2.590500      0.7307000    


%chk=000128192-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128192

0 1
O 1.962031 0.275900 -0.603187
O 2.218051 -0.140370 1.704377
O -4.228720 -1.176631 -0.152238
O 0.433817 3.431284 0.280480
N 0.904996 1.223500 -0.242195
C 3.547198 -1.463843 0.044466
C 4.151840 -2.176174 1.278777
C 2.807484 -2.490797 -0.863711
C 4.666407 -0.750072 -0.770356
C 2.537653 -0.416352 0.540816
C -0.409516 0.647728 -0.186840
C -1.404822 1.177476 0.668998
C -0.713266 -0.470588 -1.008508
C 1.298212 2.548876 0.005967
C -2.988428 -0.523827 -0.110639
C -2.691341 0.599455 0.700973
C -1.988334 -1.056827 -0.962084
C 2.788861 2.838191 -0.084764
C -5.309930 -0.653081 0.706828
C -6.533993 -1.530578 0.459928
H 4.885297 -2.931143 0.942663
H 4.665244 -1.460348 1.943906
H 3.371088 -2.683029 1.871442
H 1.971484 -2.974479 -0.326856
H 3.519556 -3.278368 -1.169931
H 2.408839 -2.007538 -1.771511
H 5.205218 -0.010755 -0.149961
H 5.397929 -1.503407 -1.114399
H 4.253118 -0.233853 -1.653009
H -1.180749 2.047015 1.288154
H 0.049257 -0.874067 -1.680405
H -3.443849 1.034024 1.365001
H -2.235166 -1.920583 -1.586575
H 3.332552 2.349269 0.743991
H 2.919842 3.926906 0.000367
H 3.220659 2.481157 -1.034808
H -4.990808 -0.695596 1.768713
H -5.511526 0.405045 0.440504
H -7.381127 -1.182729 1.078712
H -6.834747 -1.489253 -0.600823
H -6.318810 -2.581235 0.719137


