%chk=000060024.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060024

0 1
 O   0.4118000      0.2318000     -0.9453000    
 O   -1.081600      -2.077200     -0.5454000    
 N   -4.870600      0.5844000      0.7614000    
 C    2.704600      3.7700001E-02 -0.2809000    
 C    1.396500      0.7926000     -8.8000000E-02
 C    3.806500      0.5816000      0.6266000    
 C  -0.8907000      0.3091000     -0.5250000    
 C   -1.632200     -0.8505000     -0.3264000    
 C   -1.457300       1.559200     -0.3005000    
 C   -2.956700     -0.7590000      0.1017000    
 C   -3.531300      0.4916000      0.3287000    
 C   -2.781600       1.650700      0.1276000    
 C    5.080500     -0.1928000      0.4614000    
 C    6.233300      0.3431000      4.5000002E-02
 C  -0.4312000      -2.702300      0.5592000    
 H    3.008700      0.1020000      -1.333800    
 H    2.538200      -1.029600     -8.5199997E-02
 H    1.085000      0.7230000      0.9624000    
 H    1.529800       1.849800     -0.3443000    
 H    3.493000      0.5101000       1.675000    
 H    3.967200       1.645600      0.4143000    
 H  -0.8876000       2.469900     -0.4614000    
 H   -3.537000      -1.665700      0.2561000    
 H   -3.218800       2.631000      0.2992000    
 H    5.057800      -1.251100      0.7087000    
 H   -5.287400       1.490900      0.9268000    
 H   -5.414500     -0.2554000      0.9081000    
 H    7.122400     -0.2710000     -4.8200000E-02
 H    6.311400       1.394400     -0.2093000    
 H   -1.156000      -2.930400       1.347100    
 H   0.3644000      -2.064300      0.9561000    
 H   1.2700000E-02  -3.638600      0.2104000    


%chk=000060024-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060024

0 1
O 0.465611 -0.450670 0.157285
O -1.566686 -2.333471 -0.562106
N -5.030889 0.981047 0.085058
C 2.851405 -0.079709 0.217512
C 1.482355 0.585792 0.383456
C 4.008764 0.934542 0.423328
C -0.890868 -0.044950 0.196420
C -1.874392 -1.021407 -0.149561
C -1.323431 1.259990 0.525054
C -3.237830 -0.669622 -0.180156
C -3.670721 0.649107 0.130041
C -2.690228 1.610799 0.493415
C 5.370663 0.277276 0.336581
C 6.360564 0.633159 -0.519932
C -0.693733 -3.138321 0.314746
H 2.919590 -0.527783 -0.790533
H 2.942181 -0.906594 0.948140
H 1.372450 1.008818 1.405555
H 1.348700 1.406796 -0.352869
H 3.893316 1.406717 1.422956
H 3.937045 1.747284 -0.325508
H -0.594408 2.029605 0.796275
H -3.953368 -1.451333 -0.457766
H -2.992099 2.634105 0.745441
H 5.542203 -0.557252 1.035518
H -5.344051 1.918898 0.313707
H -5.725002 0.293686 -0.189981
H 7.325483 0.113889 -0.531947
H 6.232275 1.454739 -1.235980
H -1.149862 -3.247248 1.318614
H 0.306507 -2.684443 0.403941
H -0.632247 -4.122845 -0.174603


