%chk=000048505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048505

1 1
 O    2.087300       2.562200     -0.2450000    
 N   -1.789100     -0.3470000     -0.3268000    
 C   -2.584000      0.8622000      0.1618000    
 C  -0.2790000     -0.1436000     -0.1818000    
 C   -2.203500      -1.556500      0.5062000    
 C   -2.115800     -0.5654000      -1.801500    
 C   -2.299000       1.085300       1.630900    
 C   0.4707000      -1.250600      3.7200000E-02
 C   0.1811000       1.126300     -0.2845000    
 C    1.846700      -1.065000      0.1693000    
 C    1.557200       1.311900     -0.1523000    
 C    2.390100      0.2163000      7.4500002E-02
 C    2.737300      -2.236100      0.4120000    
 H   -2.378200       1.734500     -0.4652000    
 H   -3.647900      0.6294000      2.3800001E-02
 H   -1.738700      -1.528300       1.497100    
 H   -3.294400      -1.539800      0.6108000    
 H   -1.950700      -2.476300     -3.1700000E-02
 H   -1.556300      -1.434500      -2.161800    
 H   -3.190800     -0.7501000      -1.889400    
 H   -1.836100      0.3314000      -2.363200    
 H   -2.773600       2.024900       1.938100    
 H   -2.746800      0.3107000       2.261600    
 H   -1.243900       1.172400       1.897300    
 H   9.4499998E-02  -2.263900      8.0799997E-02
 H  -0.4179000       2.001200     -0.4941000    
 H    3.463100      0.3610000      0.1756000    
 H    3.668400      -1.935000      0.9040000    
 H    2.251900      -2.967900       1.066600    
 H    2.986700      -2.721400     -0.5368000    
 H    3.051400       2.505400     -0.1295000    


%chk=000048505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048505

1 1
O 2.126319 2.471760 -0.952644
N -1.829039 -0.319591 -0.364135
C -2.569385 0.800748 0.439814
C -0.312624 -0.161904 -0.231404
C -2.328190 -1.678455 0.117971
C -2.217040 -0.190090 -1.845354
C -2.259543 0.803091 1.937546
C 0.486635 -1.209994 0.265802
C 0.244489 1.065072 -0.639869
C 1.895462 -1.034017 0.359823
C 1.644090 1.235596 -0.538150
C 2.465479 0.195196 -0.039010
C 2.770782 -2.164313 0.865345
H -2.268650 1.753896 -0.022490
H -3.644690 0.643325 0.243050
H -2.048273 -1.831294 1.168014
H -3.424452 -1.690829 0.021662
H -1.894014 -2.469868 -0.509798
H -1.685360 -0.965308 -2.416613
H -3.306676 -0.319818 -1.940065
H -1.924109 0.801703 -2.214786
H -2.752139 1.684694 2.384051
H -2.650764 -0.083945 2.462598
H -1.178546 0.895670 2.134416
H 0.065954 -2.165666 0.585343
H -0.335774 1.904712 -1.031868
H 3.550315 0.338732 0.038124
H 3.719844 -1.788375 1.281634
H 2.265614 -2.753369 1.650004
H 3.025409 -2.861180 0.044165
H 3.109575 2.547520 -0.869177


