%chk=000076897.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076897

0 1
 O   -3.445800     -0.7348000     -2.7999999E-03
 N    1.736800       1.288800     -7.9999998E-04
 C    1.382200      -1.581300     -0.1283000    
 C    2.667700     -0.9366000      0.3896000    
 C   0.2192000     -0.6225000     -5.2299999E-02
 C    2.873500      0.4265000     -0.2608000    
 C   0.4479000      0.7680000     -1.2900000E-02
 C   -1.091900      -1.119200     -6.2100001E-02
 C  -0.6558000       1.629700      6.4099997E-02
 C   -2.175900     -0.2458000     -6.0000003E-04
 C   -1.958100       1.127200      6.6900000E-02
 H    1.171900      -2.480400      0.4626000    
 H    1.513200      -1.887100      -1.173400    
 H    2.605800     -0.8170000       1.479300    
 H    3.522700      -1.589500      0.1828000    
 H    3.780400      0.8962000      0.1340000    
 H    3.007200      0.3150000      -1.343400    
 H    1.861100       2.293300     -4.2399999E-02
 H   -1.259400      -2.192600     -0.1131000    
 H  -0.5075000       2.706200      0.1163000    
 H   -2.798200       1.814400      0.1205000    
 H   -3.410100      -1.705500     -5.3199999E-02


%chk=000076897-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076897

0 1
O -3.551031 -0.701867 0.034285
N 1.750836 1.288959 -0.017534
C 1.414822 -1.592204 -0.160474
C 2.702732 -0.944143 0.400559
C 0.224328 -0.641136 -0.076521
C 2.924456 0.439686 -0.248086
C 0.445056 0.769575 -0.022599
C -1.101351 -1.132898 -0.050978
C -0.678831 1.641716 0.050012
C -2.206388 -0.255336 0.013801
C -1.992884 1.139706 0.065624
H 1.191112 -2.527930 0.386154
H 1.590083 -1.883275 -1.217421
H 2.615374 -0.817380 1.495802
H 3.578173 -1.589288 0.201068
H 3.812468 0.930617 0.192387
H 3.126675 0.301123 -1.335545
H 1.862430 2.300044 -0.066585
H -1.262577 -2.220382 -0.083600
H -0.518107 2.726348 0.096203
H -2.855626 1.810271 0.119587
H -3.584849 -1.689205 -0.006140


