%chk=000044835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044835

0 1
 O    2.115000       2.605300     -0.5866000    
 C   4.4000000E-03   1.494100     -0.2335000    
 C   -1.026500       1.062900      0.7627000    
 C   -1.007100       2.478500      0.2758000    
 C    1.418000       1.620900      0.2003000    
 C   -2.125400      0.1579000      0.3223000    
 C    2.201600      0.3150000      0.1063000    
 C   -1.893800      -1.212200      0.1996000    
 C   -3.385200      0.6811000      3.0800000E-02
 C    2.219100     -0.5277000       1.196600    
 C    2.864700      2.2200000E-02  -1.065600    
 C   -2.921700      -2.059000     -0.2149000    
 C   -4.413200     -0.1660000     -0.3837000    
 C   -4.181300      -1.535900     -0.5065000    
 C    2.935100      -1.721600       1.110900    
 C    3.580600      -1.171900      -1.151400    
 C    3.615800      -2.043700     -6.3100003E-02
 H  -9.4099998E-02   1.178400      -1.266300    
 H  -0.6965000      0.9259000       1.790400    
 H   -1.721400       2.843500     -0.4520000    
 H  -0.6820000       3.243300      0.9728000    
 H    1.483700       1.981600       1.235400    
 H  -0.9161000      -1.630300      0.4242000    
 H   -3.603500       1.739500      0.1378000    
 H    1.648500       3.450600     -0.4698000    
 H    1.690900     -0.2846000       2.113400    
 H    2.838300      0.6777000      -1.930400    
 H   -2.741300      -3.125700     -0.3104000    
 H   -5.395700      0.2402000     -0.6059000    
 H   -4.982100      -2.195500     -0.8280000    
 H    2.961800      -2.400800       1.957900    
 H    4.107600      -1.424900      -2.066800    
 H    4.172300      -2.973900     -0.1303000    


%chk=000044835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044835

0 1
O 2.216417 2.650076 -0.628833
C 0.062555 1.502580 -0.321108
C -1.086964 1.205851 0.647136
C -0.980810 2.596310 -0.002331
C 1.494752 1.655711 0.186992
C -2.186264 0.241447 0.285558
C 2.273762 0.343505 0.127536
C -1.876000 -1.076243 -0.139670
C -3.548345 0.616652 0.410272
C 1.984848 -0.687225 1.057737
C 3.262012 0.122645 -0.861216
C -2.905320 -1.998486 -0.433294
C -4.579711 -0.303858 0.117309
C -4.260972 -1.615822 -0.304407
C 2.666230 -1.922818 0.995777
C 3.945459 -1.113722 -0.922510
C 3.649879 -2.141234 0.002338
H -0.008121 1.045840 -1.315341
H -0.804787 1.183794 1.709936
H -1.701000 2.852952 -0.784886
H -0.681094 3.433588 0.638872
H 1.452186 2.011038 1.242456
H -0.824859 -1.371974 -0.242142
H -3.795272 1.634883 0.734587
H 1.591567 3.396866 -0.812263
H 1.227551 -0.525891 1.835189
H 3.491841 0.931287 -1.560258
H -2.651519 -3.012402 -0.763068
H -5.628180 -0.000022 0.216125
H -5.059801 -2.330272 -0.533286
H 2.435148 -2.709762 1.722771
H 4.712546 -1.272631 -1.689255
H 4.182766 -3.097761 -0.044724


