%chk=000057661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057661

0 1
 O  -0.1376000       2.409600      0.7533000    
 O  -0.8670000      -3.810200     -0.2736000    
 N    1.422900      -3.689800     -0.2585000    
 C   -1.234800      0.3127000      0.4235000    
 C    1.177800      0.4425000      0.4217000    
 C   -2.574700      0.9606000      0.5419000    
 C    2.440400       1.231000      0.5391000    
 C  -6.5399997E-02   1.064900      0.5354000    
 C   -3.107900       1.441900     -0.8140000    
 C    2.917500       1.766400     -0.8173000    
 C   -1.161000      -1.062000      0.1976000    
 C    1.251500     -0.9321000      0.1961000    
 C   8.2199998E-02  -1.684400      8.3600000E-02
 C   -4.487000       2.070100     -0.6907000    
 C    4.184600       2.596300     -0.6854000    
 C   0.1586000      -3.117500     -0.1526000    
 H   -3.284600      0.2350000      0.9632000    
 H   -2.564600       1.777600       1.273400    
 H    2.307300       2.060700       1.244800    
 H    3.226600      0.6058000      0.9831000    
 H   -2.419800       2.173700      -1.253800    
 H   -3.161700      0.6003000      -1.515700    
 H    3.104300      0.9324000      -1.504800    
 H    2.134100       2.383200      -1.274500    
 H   -2.078500      -1.639200      0.1091000    
 H    2.242800      -1.361900      0.1127000    
 H   -5.210700       1.351600     -0.2927000    
 H   -4.463000       2.939000     -2.5400000E-02
 H   -4.841900       2.402100      -1.671400    
 H    4.020100       3.461800     -3.5799999E-02
 H    5.000800       2.000400     -0.2647000    
 H    4.501800       2.963000      -1.666600    
 H   -1.004500       2.757200      0.4935000    
 H    2.306500      -3.203800     -0.1777000    
 H    1.502300      -4.687300     -0.4304000    


%chk=000057661-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057661

0 1
O -0.068405 2.342237 0.717802
O -0.908816 -3.968288 -0.406617
N 1.363090 -3.981661 0.020345
C -1.240693 0.185647 0.405752
C 1.246132 0.358352 0.397183
C -2.604434 0.856631 0.479294
C 2.498264 1.213680 0.466663
C -0.042027 0.948594 0.506624
C -3.010723 1.569448 -0.844611
C 2.788471 1.971763 -0.860121
C -1.121073 -1.203767 0.201416
C 1.311426 -1.036689 0.193162
C 0.141760 -1.834341 0.096564
C -4.381261 2.269870 -0.737303
C 4.064700 2.834244 -0.770584
C 0.148431 -3.322496 -0.117343
H -3.370701 0.095762 0.715885
H -2.653830 1.590390 1.315978
H 2.396182 1.962041 1.275292
H 3.369731 0.575972 0.713979
H -2.233786 2.304226 -1.137333
H -3.035310 0.815210 -1.653748
H 2.885189 1.237733 -1.684382
H 1.918730 2.611272 -1.100285
H -2.013700 -1.833249 0.113889
H 2.309745 -1.479857 0.084979
H -5.177106 1.545860 -0.480569
H -4.374889 3.051736 0.046257
H -4.659994 2.751766 -1.691710
H 3.973310 3.594635 0.027834
H 4.952816 2.213799 -0.543928
H 4.257517 3.364495 -1.721171
H -0.998121 2.656711 0.842892
H 2.215813 -3.521349 0.328433
H 1.370963 -4.988776 -0.134117


