%chk=000052947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052947

0 1
 O   0.9909000      -2.365100     -0.5298000    
 O   0.8889000       2.264800     -0.6728000    
 O   -4.075700      5.3500000E-02   1.586900    
 N   0.5297000     -6.5200001E-02 -0.7658000    
 N   -5.638000      1.5300000E-02 -0.1300000    
 C  -0.8090000     -0.1120000      -1.285100    
 C   -1.864200     -8.8999998E-03 -0.1858000    
 C    2.570200     -0.6880000      2.9700000E-02
 C    2.538500      0.6981000     -1.3600000E-02
 C    1.281200      -1.186000     -0.4487000    
 C    1.228600       1.106200     -0.5204000    
 C   -3.302400     -2.1100000E-02 -0.7073000    
 C    3.680400      -1.379600      0.4688000    
 C    3.615400       1.465500      0.3800000    
 C   -4.352200      2.8400000E-02  0.3907000    
 C    4.784000     -0.6227000      0.8721000    
 C    4.751800      0.7863000      0.8283000    
 C   -6.818100      3.0300001E-02  0.7029000    
 H  -0.9423000      -1.050200      -1.835500    
 H  -0.9351000      0.7188000      -1.988800    
 H   -1.700700      0.9087000      0.3944000    
 H   -1.727500     -0.8363000      0.5228000    
 H   -3.460100      0.8383000      -1.370000    
 H   -3.471200     -0.9314000      -1.295200    
 H    3.705300      -2.462500      0.5030000    
 H    3.591000       2.548400      0.3468000    
 H    5.680800      -1.125000       1.225400    
 H    5.624300       1.350000       1.148300    
 H   -5.768000     -4.2100001E-02  -1.135900    
 H   -7.150200      -1.001100      0.8449000    
 H   -7.596700      0.5983000      0.1884000    
 H   -6.603400      0.4844000       1.673500    


%chk=000052947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052947

0 1
O 1.070282 -2.501755 -0.605970
O 0.620014 2.181509 -0.812772
O -4.269549 -1.062902 1.267166
N 0.522590 -0.195421 -0.829793
N -5.556531 0.367602 -0.045350
C -0.835996 -0.346083 -1.370744
C -1.920540 -0.197491 -0.280559
C 2.623543 -0.668047 0.060470
C 2.489573 0.740686 -0.003955
C 1.366736 -1.289181 -0.471221
C 1.141540 1.062504 -0.576355
C -3.337164 -0.319503 -0.883839
C 3.788444 -1.270810 0.556985
C 3.516720 1.593545 0.425855
C -4.411763 -0.373463 0.211689
C 4.833725 -0.416415 0.996172
C 4.700003 0.993720 0.931353
C -6.698627 0.394942 0.876345
H -0.890907 -1.348639 -1.832997
H -0.972506 0.419951 -2.156529
H -1.808333 0.782611 0.218609
H -1.798295 -0.979566 0.489250
H -3.532050 0.507960 -1.594439
H -3.406521 -1.266207 -1.457828
H 3.880014 -2.360503 0.601791
H 3.402358 2.680662 0.371306
H 5.758074 -0.850522 1.392048
H 5.523222 1.627581 1.277968
H -5.601389 0.917245 -0.904238
H -7.616645 0.014675 0.391279
H -6.887811 1.417205 1.253099
H -6.446010 -0.257787 1.727403


