%chk=000028947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028947

0 1
 O   -2.933400     -0.3252000      0.1040000    
 O    1.185500      -2.449000      0.3355000    
 O   -1.628100       1.459500     -0.5147000    
 N  -0.7147000     -0.5069000      0.3201000    
 C   0.6109000     -0.1558000      0.2677000    
 C    1.543000      -1.302400      6.1099999E-02
 C   0.9459000       1.134400      0.4126000    
 C   -4.104200      0.4134000     -0.2631000    
 C    2.869000      -1.111800     -0.5745000    
 C    2.250100       1.737500      0.4870000    
 C   -1.741300      0.3202000     -7.2999999E-02
 C    3.634100     -1.7400000E-02 -0.6023000    
 C    3.410100       1.244300      4.5299999E-02
 C   -5.327000     -0.4410000     -5.5999998E-03
 H   0.1947000       1.884200      0.6477000    
 H  -0.9384000      -1.486500      0.4731000    
 H   -4.160000       1.329600      0.3353000    
 H   -4.052200      0.6748000      -1.325800    
 H    3.257200      -2.007000      -1.057600    
 H    2.267700       2.724500      0.9468000    
 H    4.590200     -8.9100003E-02  -1.118400    
 H    4.301900       1.855800      0.1694000    
 H   -6.241800      9.3699999E-02 -0.2757000    
 H   -5.276600      -1.369800     -0.5833000    
 H   -5.382500     -0.7261000       1.050200    


%chk=000028947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028947

0 1
O -2.976451 -0.310158 -0.036989
O 0.788068 -2.340027 -0.282788
O -1.865721 1.750361 0.176708
N -0.721122 -0.318766 -0.052213
C 0.631227 0.028181 -0.040018
C 1.445165 -1.228543 -0.183240
C 1.064901 1.354389 0.089634
C -4.284775 0.405795 0.052118
C 2.896048 -1.239849 -0.211808
C 2.394471 1.869534 0.116454
C -1.841490 0.499704 0.043129
C 3.826622 -0.206626 -0.125429
C 3.618224 1.200141 0.022704
C -5.370220 -0.657607 -0.072164
H 0.264105 2.097080 0.181743
H -0.850764 -1.345840 -0.156895
H -4.322818 0.940559 1.018415
H -4.327569 1.153329 -0.760451
H 3.288879 -2.259093 -0.323847
H 2.452927 2.960980 0.226904
H 4.878440 -0.520691 -0.178119
H 4.522935 1.819778 0.067766
H -6.365768 -0.181311 -0.013116
H -5.294460 -1.187508 -1.036867
H -5.290756 -1.399913 0.740170


