%chk=000177044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177044

0 1
 O    3.151800       2.051200      2.0000001E-03
 O   -3.506800       1.780100     -3.1000001E-03
 N    2.712800     -0.2647000     -3.0000001E-04
 N   -2.864900     -0.4886000      3.9999999E-04
 C   0.6644000      -1.569200      6.9999998E-04
 C    1.317400     -0.3365000      1.3000000E-03
 C   -1.470600     -0.4381000      1.6000000E-03
 C  -0.7296000      -1.619900      8.9999998E-04
 C   0.5762000      0.8453000      2.0000001E-03
 C  -0.8177000      0.7945000      2.2000000E-03
 C    1.433000      -2.850900     -1.7000000E-03
 C    3.518200      0.8803000     -1.4000000E-03
 C   -3.769300      0.5817000     -1.9999999E-04
 C    4.985100      0.5303000     -3.0000000E-03
 C   -5.200000      0.1047000     -1.5000000E-03
 H   -1.242000      -2.579500     -9.9999997E-05
 H    1.004200       1.837300      2.2000000E-03
 H   -1.323800       1.749900      2.9000000E-03
 H    2.058400      -2.923500     -0.8978000    
 H    2.061900      -2.924800      0.8918000    
 H   0.7692000      -3.722600     -7.9999998E-04
 H    3.206300      -1.153400     -1.3000000E-03
 H   -3.265700      -1.424300     -9.9999997E-05
 H    5.231500     -3.3900000E-02  0.9010000    
 H    5.584400       1.444600     -2.5599999E-02
 H    5.222400     -7.0699997E-02 -0.8854000    
 H   -5.395600     -0.4735000     -0.9088000    
 H   -5.877100      0.9630000      2.6300000E-02
 H   -5.383900     -0.5199000      0.8772000    


%chk=000177044-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177044

0 1
O 3.274243 2.054375 -0.005480
O -3.632715 1.775594 0.006099
N 2.762243 -0.242466 -0.003050
N -2.926431 -0.464922 0.002232
C 0.669808 -1.509839 -0.001102
C 1.335560 -0.243064 -0.001704
C -1.506806 -0.333737 0.000998
C -0.738783 -1.528303 0.000255
C 0.571992 0.952642 -0.001005
C -0.835363 0.914877 0.000399
C 1.450042 -2.814804 -0.001933
C 3.642844 0.843921 -0.003665
C -3.899144 0.538613 0.003486
C 5.117861 0.433580 -0.000103
C -5.332939 0.002439 -0.001175
H -1.250311 -2.500722 0.000746
H 1.095713 1.909870 -0.001733
H -1.416492 1.838132 0.001224
H 2.094746 -2.915611 -0.898435
H 2.097025 -2.915427 0.892960
H 0.766620 -3.679629 -0.000934
H 3.202041 -1.164748 -0.002755
H -3.275522 -1.426452 0.001401
H 5.374492 -0.135251 0.913001
H 5.732537 1.344343 -0.030829
H 5.366769 -0.192059 -0.877428
H -5.540987 -0.578262 -0.919146
H -6.024148 0.856180 0.038435
H -5.524697 -0.650368 0.870641


