%chk=000108476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108476

0 1
 O   -1.751200      0.2319000      0.6482000    
 O   -6.900900     -9.1600001E-02  -1.251300    
 O   -2.917500       1.146000      -1.124100    
 N   -5.219700      0.8404000      8.5699998E-02
 C   -4.084400      0.3784000      0.8331000    
 C   -4.356700      -1.101400       1.026000    
 C   -5.230000      -1.483500     -0.1688000    
 C   -5.923600     -0.1916000     -0.5257000    
 C   -2.878200      0.6402000     -1.0600000E-02
 C   0.6161000     -8.2099997E-02  0.8261000    
 C    1.970400      0.1079000      0.1462000    
 C  -0.5254000      0.4232000     -4.4700000E-02
 C    3.114400     -0.3635000       1.046700    
 C    4.453300     -0.2133000      0.3711000    
 C    4.956000      -1.260600     -0.3868000    
 C    5.162300      0.9698000      0.5184000    
 C    6.195400      -1.121700      -1.011600    
 C    6.401600       1.108800     -0.1065000    
 C    6.918000      6.2899999E-02 -0.8715000    
 H   -4.015200      0.9393000       1.769300    
 H   -3.459700      -1.724300       1.092900    
 H   -4.933700      -1.248700       1.947900    
 H   -4.622900      -1.804300      -1.021100    
 H   -5.954700      -2.259400      8.9400001E-02
 H   -5.464300       1.819900     -2.2600001E-02
 H   0.4537000      -1.141400       1.061300    
 H   0.5973000      0.4451000       1.788200    
 H    1.984800     -0.4475000     -0.8001000    
 H    2.110100       1.166500     -0.1071000    
 H  -0.5498000     -0.1316000     -0.9900000    
 H  -0.3907000       1.490100     -0.2584000    
 H    2.963300      -1.413300       1.330000    
 H    3.111400      0.2017000       1.987700    
 H    4.399900      -2.186500     -0.5037000    
 H    4.767700       1.790600       1.110500    
 H    6.597400      -1.935800      -1.607700    
 H    6.964200       2.031400      2.0999999E-03
 H    7.882800      0.1712000      -1.358200    


%chk=000108476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108476

0 1
O -1.770194 0.243270 0.574445
O -7.247025 0.019820 -1.053561
O -2.921231 1.097702 -1.268061
N -5.389491 0.844395 0.146009
C -4.157359 0.375854 0.775904
C -4.446903 -1.152143 1.004232
C -5.509849 -1.503202 -0.063874
C -6.187197 -0.161389 -0.401948
C -2.921757 0.621440 -0.112679
C 0.637654 -0.054810 0.778228
C 2.030753 0.095694 0.123589
C -0.473319 0.426848 -0.153393
C 3.173326 -0.400949 1.052632
C 4.547997 -0.235262 0.420582
C 5.105757 -1.258836 -0.388526
C 5.284217 0.965623 0.591464
C 6.362680 -1.088141 -1.012045
C 6.541491 1.141971 -0.029417
C 7.085150 0.114653 -0.835123
H -3.964857 0.877251 1.742136
H -3.524956 -1.749446 0.936535
H -4.865226 -1.282419 2.016774
H -5.061965 -1.900507 -0.993468
H -6.261716 -2.229934 0.281386
H -5.555369 1.824453 -0.086020
H 0.458091 -1.114721 1.043580
H 0.600329 0.524314 1.721021
H 2.066987 -0.471271 -0.828187
H 2.214507 1.157109 -0.137609
H -0.517037 -0.154122 -1.093072
H -0.371357 1.496620 -0.413563
H 2.991674 -1.465874 1.298064
H 3.123043 0.161596 2.005733
H 4.554130 -2.197875 -0.525044
H 4.871648 1.764562 1.220864
H 6.779795 -1.891614 -1.629896
H 7.097905 2.074747 0.117699
H 8.061174 0.247795 -1.315087


