%chk=000044981.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044981

0 1
 O  -0.6746000       1.188500     -0.1852000    
 O    1.400900      6.9600001E-02 -4.0800001E-02
 N    4.005500      -2.087400     -0.3118000    
 C   -2.808200      0.1018000     -0.2370000    
 C   -1.400900      8.6199999E-02  0.3425000    
 C   -3.652000      -1.050200      0.3013000    
 C   0.6677000       1.244200      0.3149000    
 C   -5.069500      -1.005900     -0.2464000    
 C    1.324600       2.460400     -0.3255000    
 C    2.754800      0.1089000      0.3897000    
 C    3.451800      -1.116100     -1.7000000E-03
 H   -2.752700      5.3300001E-02  -1.331700    
 H   -3.284500       1.062400     -3.5999999E-03
 H   -1.441300      0.1662000       1.435000    
 H  -0.9058000     -0.8540000      7.4800000E-02
 H   -3.690100      -1.004800       1.396000    
 H   -3.190600      -2.007400      3.2099999E-02
 H   0.6356000       1.356800       1.405600    
 H   -5.570400     -7.4400000E-02  3.5799999E-02
 H   -5.070300      -1.079600      -1.338700    
 H   -5.655600      -1.840500      0.1508000    
 H    1.555000       2.273400      -1.380400    
 H    2.251400       2.746900      0.1798000    
 H   0.6525000       3.325000     -0.2872000    
 H    2.789300      0.2282000       1.478200    
 H    3.292400      0.9414000     -7.2800003E-02


%chk=000044981-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044981

0 1
O -0.626960 1.273193 -0.250855
O 1.491321 0.254001 -0.336551
N 3.569369 -2.475698 -0.131979
C -2.756810 0.102335 -0.220489
C -1.328135 0.098149 0.325510
C -3.589431 -1.083988 0.319915
C 0.716437 1.428077 0.191765
C -5.025563 -1.102251 -0.246328
C 1.252758 2.741666 -0.368011
C 2.714061 -0.012457 0.421866
C 3.179351 -1.375449 0.110155
H -2.713153 0.058668 -1.325641
H -3.246314 1.059585 0.044382
H -1.321840 0.183026 1.435708
H -0.786525 -0.821746 0.035189
H -3.630024 -1.034780 1.427437
H -3.081005 -2.036619 0.067302
H 0.783249 1.379494 1.309682
H -5.566613 -0.172864 0.013149
H -5.014649 -1.187061 -1.349048
H -5.605136 -1.954393 0.153103
H 1.176760 2.724802 -1.467444
H 2.309043 2.893135 -0.083457
H 0.660354 3.589204 0.017070
H 2.533656 0.058535 1.518781
H 3.520800 0.706337 0.162488


