%chk=000112654.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112654

0 1
 O   -2.544200      0.3825000      -1.563700    
 C   0.7500000      0.3526000     -0.1112000    
 C  -0.4731000       1.085400      0.4371000    
 C    1.915500       1.328000     -0.3250000    
 C    1.160400     -0.7922000      0.8247000    
 C   -1.683000      0.1639000      0.6995000    
 C    3.167600      0.6096000     -0.8228000    
 C    2.413900      -1.507000      0.3251000    
 C    3.567300     -0.5331000      0.1054000    
 C   -2.157100     -0.5701000     -0.5763000    
 C   -2.796700       1.006500       1.338300    
 C   -3.320400      -1.526100     -0.3312000    
 H   0.5088000     -7.0100002E-02  -1.094200    
 H  -0.7597000       1.883300     -0.2604000    
 H  -0.1995000       1.586300       1.375700    
 H    2.147800       1.845100      0.6148000    
 H    1.629800       2.099800      -1.049700    
 H   0.3721000      -1.547300      0.9008000    
 H    1.340500     -0.4066000       1.836200    
 H   -1.414100     -0.5874000       1.450600    
 H    3.994300       1.324300     -0.9042000    
 H    2.985900      0.2155000      -1.830100    
 H    2.188800      -2.024200     -0.6159000    
 H    2.713200      -2.274800       1.047500    
 H    4.426300      -1.067400     -0.3159000    
 H    3.887700     -0.1235000       1.071200    
 H   -1.339000      -1.160800     -0.9980000    
 H   -3.654100      0.3907000       1.624900    
 H   -3.148500       1.796100      0.6667000    
 H   -2.434200       1.489900       2.252700    
 H   -3.545000      -2.081700      -1.248700    
 H   -3.084300      -2.246000      0.4581000    
 H   -4.240700     -0.9950000     -6.8499997E-02
 H   -3.385500      0.7843000      -1.289800    


%chk=000112654-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112654

0 1
O -2.930791 0.865302 -1.472515
C 0.779313 0.190658 -0.020289
C -0.491072 0.962338 0.423183
C 1.865283 1.167717 -0.543458
C 1.366646 -0.683146 1.120772
C -1.768006 0.098545 0.619367
C 3.152529 0.431158 -0.984840
C 2.646653 -1.433638 0.680098
C 3.718993 -0.449792 0.154451
C -2.378679 -0.309709 -0.756816
C -2.791268 0.843437 1.511338
C -3.426525 -1.434770 -0.668637
H 0.514140 -0.487678 -0.862171
H -0.729096 1.744808 -0.326460
H -0.261870 1.491374 1.372245
H 2.114430 1.888991 0.264274
H 1.456878 1.760769 -1.385686
H 0.611110 -1.408629 1.482395
H 1.609924 -0.022129 1.980498
H -1.489044 -0.845854 1.132622
H 3.914464 1.162279 -1.319160
H 2.921281 -0.212004 -1.859658
H 2.388894 -2.153296 -0.124916
H 3.050465 -2.027425 1.523476
H 4.611426 -1.004313 -0.195984
H 4.052552 0.202763 0.988167
H -1.560696 -0.634668 -1.424834
H -3.743587 0.291173 1.620252
H -3.013616 1.848901 1.103754
H -2.378862 0.991487 2.525534
H -3.807733 -1.676770 -1.675922
H -2.985285 -2.351087 -0.233825
H -4.288170 -1.144554 -0.037112
H -3.739879 1.168260 -0.986443


