%chk=000082517.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082517

0 1
 O   -3.329600     -0.4643000     -3.6400001E-02
 O   -3.161400       1.824600      0.1402000    
 N    2.951700     -0.1836000     -1.3500000E-02
 C    1.559100      3.9400000E-02  2.0000001E-03
 C    3.774200      0.2332000       1.104900    
 C    3.576600     -0.8448000      -1.141700    
 C    1.061500       1.338700      0.1008000    
 C   0.6794000      -1.039900     -7.9899997E-02
 C    3.856200     -0.8769000       2.135100    
 C    3.976700      0.1762000      -2.189400    
 C   -1.195500      0.4795000      3.5500001E-02
 C  -0.3158000       1.558800      0.1176000    
 C  -0.6980000     -0.8199000     -6.3299999E-02
 C   -2.631600      0.7088000      5.4200001E-02
 C   -4.758100     -0.3694000     -2.9300001E-02
 C   -5.345200      -1.760600     -0.1368000    
 H    4.786300      0.4768000      0.7597000    
 H    3.388100       1.143700       1.577400    
 H    4.470500      -1.389300     -0.8142000    
 H    2.915400      -1.593200      -1.593600    
 H    1.732800       2.191900      0.1551000    
 H    1.050000      -2.059600     -0.1458000    
 H    2.866800      -1.119600       2.536800    
 H    4.275000      -1.791800       1.703200    
 H    4.495000     -0.5731000       2.970300    
 H    3.103100      0.7122000      -2.575400    
 H    4.669200      0.9182000      -1.778500    
 H    4.469900     -0.3179000      -3.032400    
 H  -0.6825000       2.579100      0.1931000    
 H   -1.344900      -1.690400     -0.1266000    
 H   -5.086500      0.1016000      0.9037000    
 H   -5.086200      0.2391000     -0.8791000    
 H   -6.438200      -1.725200     -0.1343000    
 H   -5.009100      -2.250500      -1.056700    
 H   -5.009500      -2.385900      0.6970000    


%chk=000082517-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082517

0 1
O -3.440018 -0.476891 -0.168940
O -3.231598 1.219841 1.421950
N 3.001352 -0.178005 -0.003398
C 1.618813 -0.046655 0.142607
C 3.944909 0.727577 0.684423
C 3.595833 -1.230012 -0.853713
C 1.050129 0.908173 1.053214
C 0.706181 -0.861062 -0.610546
C 4.306056 0.271692 2.117866
C 3.728389 -0.822372 -2.340260
C -1.231693 0.221268 0.445189
C -0.337698 1.035097 1.191826
C -0.680586 -0.728887 -0.455983
C -2.685474 0.396985 0.637794
C -4.918028 -0.362003 -0.030766
C -5.530333 -1.383619 -0.985013
H 4.865210 0.782435 0.072721
H 3.527952 1.751273 0.701450
H 4.597139 -1.465920 -0.446636
H 3.002103 -2.158005 -0.762085
H 1.697134 1.542145 1.665504
H 1.083606 -1.590994 -1.331805
H 3.406899 0.216344 2.755634
H 4.773493 -0.729555 2.105263
H 5.019472 0.978311 2.581235
H 2.742354 -0.587408 -2.776886
H 4.367040 0.073186 -2.446190
H 4.184283 -1.640959 -2.927728
H -0.761036 1.764430 1.891073
H -1.358834 -1.357365 -1.040584
H -5.189725 -0.553286 1.023699
H -5.215821 0.674576 -0.273871
H -6.633350 -1.342275 -0.922476
H -5.233166 -1.175657 -2.027379
H -5.205586 -2.406502 -0.727489


