%chk=000031201.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031201

0 1
 O   -1.256600      0.3086000      0.7980000    
 O    2.688200       2.485100     -0.5391000    
 O   -1.581200     -0.3789000      -1.375500    
 N   -3.403700     -4.8799999E-02  2.5900001E-02
 C    2.185400      -1.077000      8.5500002E-02
 C   0.8365000     -0.9677000      0.8323000    
 C    2.974000      0.2351000      0.2455000    
 C    1.954000      -1.381400      -1.410200    
 C    3.002100      -2.235500      0.6858000    
 C   0.1050000      0.3175000      0.5600000    
 C    2.157200       1.458300     -0.1191000    
 C   0.6921000       1.429700      0.1052000    
 C   -2.035500     -6.8000004E-02 -0.2747000    
 C   -4.418000     -0.4028000     -0.9623000    
 C   -3.899600      0.3258000       1.342900    
 H   0.9981000      -1.032000       1.916500    
 H   0.2008000      -1.821000      0.5631000    
 H    3.867200      0.2176000     -0.3907000    
 H    3.305200      0.3674000       1.283000    
 H    2.907200      -1.482600      -1.941600    
 H    1.403400      -2.320400      -1.538300    
 H    1.381700     -0.5949000      -1.912200    
 H    3.204200      -2.069800       1.749900    
 H    2.465700      -3.186600      0.5933000    
 H    3.967100      -2.344000      0.1781000    
 H   0.1317000       2.336700     -9.0700001E-02
 H   -5.082500      0.4535000      -1.108000    
 H   -4.991000      -1.256400     -0.5892000    
 H   -3.960400     -0.6684000      -1.918500    
 H   -3.107400      0.5740000       2.051400    
 H   -4.478000     -0.5107000       1.747000    
 H   -4.553900       1.195800       1.232700    


%chk=000031201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031201

0 1
O -1.288544 0.535573 0.390937
O 3.000433 2.577507 0.072006
O -1.797313 -1.176460 -1.173288
N -3.472426 -0.145740 0.113784
C 2.197892 -1.057824 -0.020368
C 0.725173 -0.987252 0.489978
C 2.984417 0.168668 0.525204
C 2.224694 -1.064762 -1.572528
C 2.845116 -2.363390 0.504145
C 0.119604 0.384978 0.300120
C 2.319632 1.517450 0.230343
C 0.845758 1.536851 0.180076
C -2.178044 -0.358134 -0.298643
C -4.548566 -0.917485 -0.531503
C -3.877046 0.826076 1.143169
H 0.694565 -1.229567 1.574354
H 0.112793 -1.743056 -0.030641
H 4.012428 0.195800 0.120787
H 3.075784 0.084525 1.629777
H 3.267356 -1.115683 -1.937047
H 1.677673 -1.940334 -1.967000
H 1.758665 -0.159290 -1.998830
H 2.862126 -2.390867 1.610501
H 2.287834 -3.250344 0.147909
H 3.887124 -2.454337 0.145511
H 0.351472 2.504118 0.047074
H -5.265004 -0.235975 -1.028184
H -5.094740 -1.518540 0.219926
H -4.108068 -1.589320 -1.282498
H -2.995268 1.344562 1.539191
H -4.396573 0.307652 1.971827
H -4.569947 1.572799 0.709912


