%chk=000081713.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081713

0 1
 O    3.624200     -0.1117000     -0.4150000    
 O   -2.296200       1.653600      0.6206000    
 N   -2.758200     -0.5321000     -6.7800000E-02
 C  -0.4706000      0.3777000      5.4200001E-02
 C   -1.905400      0.5497000      0.2187000    
 C   0.1305000      0.6671000      -1.170600    
 C   0.3044000     -7.5999998E-02   1.121500    
 C    2.281700      4.8999999E-02 -0.2611000    
 C    1.506700      0.5029000      -1.328300    
 C    1.680600     -0.2404000      0.9640000    
 C   -4.203200     -0.4424000      8.7399997E-02
 C   -2.251100      -1.818400     -0.5406000    
 C    4.356600     -0.5790000      0.7169000    
 H  -0.4638000       1.021100      -2.009100    
 H  -0.1547000     -0.3046000       2.080000    
 H    1.969300      0.7298000      -2.284900    
 H    2.222400     -0.5965000       1.833500    
 H   -4.528900      -1.195300      0.8107000    
 H   -4.675700     -0.6308000     -0.8808000    
 H   -4.499100      0.5476000      0.4435000    
 H   -1.167800      -1.858400     -0.6503000    
 H   -2.704800      -2.030600      -1.513700    
 H   -2.555100      -2.591200      0.1722000    
 H    4.041600      -1.585700       1.012200    
 H    4.308500      0.1318000       1.548800    
 H    5.407100     -0.6482000      0.4161000    


%chk=000081713-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081713

0 1
O 3.700533 -0.161473 -0.493231
O -2.289716 0.914140 1.583383
N -2.864157 -0.509141 -0.169971
C -0.460732 -0.005580 0.305003
C -1.924179 0.158180 0.621840
C 0.060277 -0.000772 -1.018786
C 0.450928 -0.029384 1.388271
C 2.342747 -0.106148 -0.152883
C 1.445525 -0.045854 -1.249733
C 1.843253 -0.094472 1.174805
C -4.291690 -0.208824 0.035498
C -2.583169 -1.669276 -1.031209
C 4.675725 -0.205654 0.600241
H -0.619195 0.073712 -1.874747
H 0.050685 0.021446 2.406098
H 1.856721 -0.025613 -2.263359
H 2.518798 -0.122835 2.034702
H -4.804137 -1.040724 0.559021
H -4.788020 -0.046970 -0.939932
H -4.373485 0.696275 0.655370
H -1.540991 -1.998781 -0.914381
H -2.767033 -1.441246 -2.100084
H -3.245758 -2.509864 -0.744204
H 4.534215 -1.105822 1.229264
H 4.614420 0.702389 1.230656
H 5.657437 -0.248707 0.106468


