%chk=000128841.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128841

0 1
 O    1.251500       3.039400      0.6505000    
 O   -2.099700     -0.6096000       1.627300    
 O  -2.8300000E-02   2.638800      -1.180500    
 O    3.842500      -1.640100      -1.340100    
 O    3.558600      -1.693700      0.9102000    
 N  -0.9769000      0.3376000     -0.1691000    
 N   -3.456300      -2.258700     -0.1181000    
 C   7.2200000E-02  0.9696000      0.5902000    
 C    1.280900      5.1399998E-02  0.8084000    
 C    2.016200     -0.3983000     -0.4607000    
 C   -2.958700     -0.9771000     -0.6117000    
 C   -1.990700     -0.4104000      0.4192000    
 C   0.4128000       2.275600     -9.7700000E-02
 C   -4.116900     -1.2600000E-02 -0.8350000    
 C    3.192700      -1.311900     -0.1927000    
 H  -0.3484000       1.232500       1.569300    
 H    2.001100      0.5586000       1.463900    
 H   0.9534000     -0.8421000       1.356200    
 H  -0.9591000      0.4339000      -1.180600    
 H    2.394900      0.4802000     -0.9948000    
 H    1.323700     -0.9374000      -1.116400    
 H   -2.432200      -1.152000      -1.556400    
 H   -3.751000      0.9479000      -1.214700    
 H   -4.657400      0.1919000      9.6500002E-02
 H   -4.830000     -0.4122000      -1.564100    
 H   -4.103100      -2.657100     -0.7983000    
 H   -4.002400      -2.114200      0.7310000    
 H    1.458600       3.891900      0.2116000    
 H    4.616700      -2.217800      -1.169200    


%chk=000128841-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128841

0 1
O 1.360067 3.084651 0.591791
O -1.834502 -0.856166 1.412659
O 0.184600 2.663956 -1.366485
O 3.713291 -1.811142 -1.200652
O 3.432236 -1.709974 1.102371
N -0.998106 0.444842 -0.316776
N -3.270714 -2.354868 -0.424227
C 0.029775 1.074385 0.522105
C 1.219213 0.124288 0.861878
C 1.947927 -0.395820 -0.388707
C -2.995270 -0.950930 -0.758040
C -1.891761 -0.467306 0.203367
C 0.500654 2.332172 -0.200000
C -4.227616 -0.001254 -0.623630
C 3.073271 -1.349435 -0.038907
H -0.425076 1.369763 1.487828
H 1.920483 0.663051 1.522073
H 0.804511 -0.718360 1.439952
H -1.079991 0.777454 -1.282830
H 2.383376 0.425500 -0.991577
H 1.249009 -0.927918 -1.062124
H -2.617435 -0.883490 -1.799504
H -3.985150 1.038314 -0.915973
H -4.590503 0.000302 0.419753
H -5.044977 -0.356502 -1.277988
H -4.143919 -2.722262 -0.810405
H -3.149393 -2.544407 0.577667
H 1.658085 3.894006 0.094500
H 4.442613 -2.438749 -0.943920


