%chk=000125416.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125416

0 1
 O  -0.8764000      -1.885500     -0.4070000    
 O   4.3400001E-02  -2.151700       1.695400    
 N   -2.839900     -0.2115000     -0.4516000    
 C   -2.446500      8.5699998E-02  0.9401000    
 C   -2.460300       1.018400      -1.167200    
 C  -0.9016000     -3.1800002E-02   1.029800    
 C  -0.1793000      0.9087000      2.5200000E-02
 C  -0.9249000      0.9626000      -1.333100    
 C   -2.912800       1.531200       1.157900    
 C   -2.909900       2.153200     -0.2411000    
 C    1.324100      0.6804000     -3.7099998E-02
 C   -4.258000     -0.5340000     -0.5863000    
 C  -0.5131000      -1.474800      0.8414000    
 C    2.158000       1.294800      0.8942000    
 C    1.860600     -0.1412000      -1.025800    
 C    3.536000       1.086400      0.8366000    
 C    3.238700     -0.3498000      -1.083400    
 C    4.076400      0.2641000     -0.1521000    
 C  -0.5640000      -3.246100     -0.7220000    
 C    5.549700      4.0800001E-02 -0.2139000    
 H   -2.906500     -0.6036000       1.658600    
 H   -2.920500       1.092400      -2.159100    
 H  -0.5892000      0.2421000       2.047300    
 H  -0.2826000       1.926000      0.4327000    
 H  -0.5881000       1.849200      -1.886500    
 H  -0.6883000      0.1063000      -1.973000    
 H   -2.272500       2.084700       1.852400    
 H   -3.931000       1.551400       1.564500    
 H   -3.925000       2.480500     -0.4956000    
 H   -2.258900       3.031500     -0.2986000    
 H   -4.488600      -1.448300     -2.8500000E-02
 H   -4.497200     -0.7386000      -1.635700    
 H   -4.929500      0.2557000     -0.2345000    
 H    1.749500       1.935800       1.670900    
 H    1.244700     -0.6477000      -1.760000    
 H    4.178300       1.571200       1.567000    
 H    3.647900     -0.9939000      -1.857300    
 H  -0.8932000      -3.441300      -1.746000    
 H   -1.096500      -3.922100     -4.6200000E-02
 H   0.5161000      -3.410600     -0.6629000    
 H    6.001700      0.1060000      0.7817000    
 H    5.782000     -0.9550000     -0.6063000    
 H    6.016400      0.7906000     -0.8605000    


%chk=000125416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125416

0 1
O -0.177260 -1.987355 -0.301660
O -1.196730 -2.377914 1.743959
N -3.017229 -0.167450 -0.363615
C -2.509303 0.224439 0.987608
C -2.544395 0.983270 -1.201729
C -0.969967 -0.056946 0.991082
C -0.257016 0.843614 -0.071122
C -1.019439 0.809993 -1.420433
C -2.833681 1.756526 1.125616
C -2.884056 2.264954 -0.354812
C 1.256620 0.616583 -0.157233
C -4.478364 -0.400722 -0.411924
C -0.800127 -1.571053 0.867538
C 2.059410 0.850301 0.989897
C 1.914210 0.214568 -1.344880
C 3.458943 0.676592 0.956436
C 3.316174 0.045348 -1.381093
C 4.116937 0.273081 -0.233939
C -0.028962 -3.453818 -0.456776
C 5.627984 0.118908 -0.282971
H -2.983425 -0.390062 1.770773
H -3.061342 0.972665 -2.177580
H -0.585342 0.195742 1.999347
H -0.373177 1.873799 0.329600
H -0.639435 1.612418 -2.082849
H -0.861964 -0.160463 -1.922012
H -2.079727 2.289663 1.732316
H -3.808331 1.891184 1.627335
H -3.890557 2.642128 -0.609143
H -2.168103 3.083969 -0.546883
H -4.728067 -1.251933 0.245703
H -4.765969 -0.673638 -1.442957
H -5.103204 0.471085 -0.100723
H 1.585030 1.173591 1.926304
H 1.330329 0.013840 -2.248362
H 4.049797 0.860121 1.862775
H 3.796885 -0.270895 -2.315730
H 0.500242 -3.581779 -1.411520
H -1.021909 -3.933449 -0.480958
H 0.554940 -3.869824 0.381214
H 6.035650 -0.189209 0.696299
H 5.934239 -0.633133 -1.031684
H 6.118893 1.073460 -0.556813


