%chk=000086077.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086077

0 1
 O    1.005100      0.5274000     -0.2794000    
 O   0.8747000      -1.758300     -2.0800000E-02
 N   -1.735500      -1.787200     -0.6313000    
 C   -1.835700      0.4073000      0.5317000    
 C   -1.123200     -0.4578000     -0.5368000    
 C   -3.324700      0.6779000      0.2245000    
 C    2.413600      0.4739000     -3.2699998E-02
 C   -1.717500     -0.1748000       1.949400    
 C   0.3534000     -0.6726000     -0.2430000    
 C   -3.562400       1.374900      -1.107800    
 C    3.059900     -0.4137000      -1.095400    
 C    2.951300       1.900300     -0.1244000    
 C    2.641200     -9.7300000E-02   1.366100    
 H   -1.329100       1.382300      0.5554000    
 H   -1.186000      1.4200000E-02  -1.523200    
 H   -3.897700     -0.2567000      0.2476000    
 H   -3.739500       1.313800       1.017000    
 H  -0.6731000     -0.3425000       2.229500    
 H   -2.256300      -1.122500       2.048000    
 H   -2.140400      0.5206000       2.683200    
 H   -3.316200      0.7247000      -1.952100    
 H   -4.617900       1.650200      -1.203000    
 H   -2.965900       2.289200      -1.185600    
 H   -1.598300      -2.303000      0.2365000    
 H   -1.274000      -2.327400      -1.362300    
 H    2.669000     -0.1805000      -2.092700    
 H    4.145100     -0.2570000      -1.115700    
 H    2.921600      -1.486200     -0.9373000    
 H    2.453100       2.550400      0.6041000    
 H    2.747500       2.329300      -1.112200    
 H    4.030500       1.942000      5.5399999E-02
 H    2.493400      -1.176900       1.447000    
 H    3.672400      8.6000003E-02   1.690800    
 H    1.971500      0.3743000       2.094700    


%chk=000086077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086077

0 1
O 1.002815 0.363226 -0.379068
O 0.809476 -1.892847 0.246141
N -1.900346 -1.904534 -0.645135
C -1.856823 0.269036 0.629459
C -1.196204 -0.624361 -0.483156
C -3.287432 0.694166 0.209280
C 2.502623 0.477073 -0.084555
C -1.881756 -0.457757 1.994329
C 0.305188 -0.818364 -0.166288
C -3.339861 1.696000 -0.964766
C 3.271385 -0.498150 -0.997762
C 2.789623 1.942914 -0.449857
C 2.747140 0.207288 1.413371
H -1.227406 1.178625 0.715298
H -1.255893 -0.060378 -1.431676
H -3.851872 -0.223044 -0.046787
H -3.784026 1.147923 1.090910
H -0.878582 -0.805649 2.303515
H -2.553223 -1.335518 1.954034
H -2.263086 0.217362 2.781923
H -2.940823 1.259007 -1.899040
H -4.380311 2.007980 -1.171071
H -2.751461 2.606411 -0.741223
H -1.624148 -2.589248 0.069006
H -1.801275 -2.307108 -1.582786
H 3.028027 -0.307952 -2.058243
H 4.358133 -0.347037 -0.862347
H 3.027181 -1.543942 -0.754526
H 2.188679 2.624747 0.176187
H 2.543694 2.134390 -1.508395
H 3.859425 2.168306 -0.289754
H 2.525351 -0.840081 1.670806
H 3.806266 0.413982 1.653784
H 2.119421 0.871834 2.033593


