%chk=000139162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139162

0 1
 O   -1.282400      0.5128000      0.1793000    
 O  -0.3076000       2.396600       1.073700    
 O    1.330700      -3.500000      0.3942000    
 O    4.471400       2.718300     -0.5200000    
 O    3.471400      -3.411500     -8.4100001E-02
 O    5.631100      0.8643000     -0.7122000    
 N    2.372700      -2.849000      0.1403000    
 N    4.552200       1.466500     -0.4943000    
 C   -5.036100      0.6189000      5.5799998E-02
 C   -6.123300     -0.3598000     -0.3972000    
 C   -3.618800      7.4400000E-02 -0.1155000    
 C   -7.540600      0.1948000     -0.2488000    
 C   -2.575300       1.067800      0.3780000    
 C   -8.584400     -0.8394000     -0.6427000    
 C    1.056500      0.5958000      0.3115000    
 C  -0.2322000       1.285500      0.5729000    
 C    2.175400       1.355200      3.6699999E-02
 C    1.095500     -0.7829000      0.3513000    
 C    2.306200      -1.430600      0.1054000    
 C    3.386000      0.7076000     -0.2093000    
 C    3.451400     -0.6854000     -0.1749000    
 H   -5.135300       1.551900     -0.5128000    
 H   -5.202100      0.8719000       1.110300    
 H   -5.949800     -0.6299000      -1.446300    
 H   -6.032700      -1.284600      0.1862000    
 H   -3.507400     -0.8711000      0.4297000    
 H   -3.429400     -0.1626000      -1.169800    
 H   -7.712400      0.5009000      0.7897000    
 H   -7.657200       1.087100     -0.8744000    
 H   -2.725500       1.270800       1.444900    
 H   -2.658100       2.007400     -0.1810000    
 H   -9.590500     -0.4230000     -0.5321000    
 H   -8.456800      -1.147700      -1.685400    
 H   -8.513800      -1.729600     -9.6000005E-03
 H    2.099200       2.439000      1.1400000E-02
 H   0.2013000      -1.353700      0.5859000    
 H    4.395400      -1.190300     -0.3665000    


%chk=000139162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139162

0 1
O -1.295757 0.553348 0.027580
O -0.274245 2.634598 0.299224
O 1.274336 -3.525533 -0.389040
O 4.713395 2.707782 0.368665
O 3.555937 -3.478049 -0.358068
O 5.898105 0.767324 0.165120
N 2.402123 -2.908348 -0.305482
N 4.795609 1.430952 0.224833
C -5.126437 0.680572 -0.038438
C -6.204798 -0.412527 -0.212736
C -3.688824 0.108839 -0.084776
C -7.646158 0.144172 -0.167220
C -2.644271 1.209809 0.082284
C -8.717724 -0.953605 -0.340923
C 1.090913 0.627701 0.081285
C -0.199672 1.391763 0.150163
C 2.297706 1.358605 0.182491
C 1.119227 -0.777190 -0.079216
C 2.368044 -1.426019 -0.135943
C 3.519670 0.663247 0.119507
C 3.589335 -0.733533 -0.040037
H -5.249899 1.445037 -0.833555
H -5.289235 1.203453 0.926802
H -6.045473 -0.936238 -1.178152
H -6.083777 -1.178904 0.580878
H -3.558702 -0.644031 0.716077
H -3.522786 -0.410474 -1.048043
H -7.804522 0.668558 0.797236
H -7.767040 0.909497 -0.960896
H -2.729798 1.732443 1.052644
H -2.689328 1.963832 -0.724864
H -9.738493 -0.530943 -0.308191
H -8.598445 -1.474284 -1.309741
H -8.640901 -1.713430 0.459538
H 2.275043 2.445340 0.306869
H 0.193432 -1.351321 -0.157969
H 4.548109 -1.256039 -0.087605


