%chk=000096620.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096620

0 1
 O    1.028100       1.298500      0.3284000    
 O   -2.611800      -1.502800      5.0099999E-02
 N  -0.8468000     -5.8200002E-02  0.2050000    
 N    1.320400     -0.9294000     -0.1576000    
 N   -1.381500      -1.428800     -3.7799999E-02
 C   -1.789600       1.012300      0.5044000    
 C    2.759200     -0.8439000     -0.2623000    
 C   0.5346000      0.1819000      0.1393000    
 C   -2.263400       1.703600     -0.7574000    
 C    3.250900      0.5668000     -1.2100000E-02
 H   -2.634300      0.6298000       1.087500    
 H   -1.285400       1.750600       1.139000    
 H    3.185900      -1.541200      0.4652000    
 H    3.038600      -1.183100      -1.264500    
 H   0.9005000      -1.839100     -0.3095000    
 H   -1.421800       2.124300      -1.317600    
 H   -2.787500       1.006100      -1.418900    
 H   -2.949800       2.519300     -0.5103000    
 H    2.926600       1.284900     -0.7731000    
 H    3.078600      0.9153000       1.011800    
 H    4.345300      0.5503000     -0.1087000    


%chk=000096620-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096620

0 1
O 0.772938 1.737939 -0.621723
O -2.248579 -1.276423 1.113853
N -0.835407 0.266735 0.271226
N 1.362327 -0.498690 -0.205734
N -1.057653 -1.037887 0.707810
C -1.889193 1.308431 0.269226
C 2.767423 -0.374609 -0.629604
C 0.506002 0.570191 -0.222925
C -2.755487 1.261588 -1.007252
C 3.742774 -0.229563 0.557981
H -2.510324 1.134532 1.165414
H -1.370646 2.276224 0.352469
H 3.026600 -1.263573 -1.234404
H 2.833670 0.511298 -1.283512
H 1.001000 -1.380402 0.171591
H -2.137004 1.433735 -1.904616
H -3.272109 0.291684 -1.103480
H -3.520621 2.056700 -0.958759
H 3.513055 0.680101 1.139179
H 3.686780 -1.100205 1.236482
H 4.781254 -0.150606 0.187680


