%chk=000012999.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012999

0 1
 O   -5.000700      0.4246000      0.1084000    
 C    1.201300     -0.4461000      8.3300002E-02
 C    2.497800      0.3666000      0.1436000    
 C  -6.1000001E-02  0.4170000      0.1377000    
 C    3.759500     -0.4897000      1.4600000E-02
 C   -1.324400     -0.4470000      0.1050000    
 C    5.019600      0.3789000      7.8999996E-03
 C   -2.589000      0.4168000      0.1291000    
 C    6.279600     -0.4702000     -0.1592000    
 C   -3.860300     -0.4209000      6.4000003E-02
 C    7.531000      0.3922000     -0.2000000    
 C   -6.155900     -0.2827000      4.8300002E-02
 C   -7.297500      0.1605000     -0.4825000    
 H    1.190600      -1.160700      0.9156000    
 H    1.191600      -1.037300     -0.8410000    
 H    2.485500       1.111600     -0.6619000    
 H    2.530500      0.9232000       1.088300    
 H  -5.2600000E-02   1.022400       1.052000    
 H  -6.5099999E-02   1.111600     -0.7110000    
 H    3.804700      -1.204600      0.8448000    
 H    3.711000      -1.072800     -0.9130000    
 H   -1.328500      -1.128400      0.9642000    
 H   -1.322600      -1.066100     -0.8003000    
 H    4.958700       1.107100     -0.8102000    
 H    5.079600      0.9482000      0.9434000    
 H   -2.580800       1.122800     -0.7108000    
 H   -2.607100       1.032700       1.037000    
 H    6.359800      -1.184000      0.6688000    
 H    6.216200      -1.053400      -1.085400    
 H   -3.867900      -1.005400     -0.8653000    
 H   -3.875100      -1.114100      0.9154000    
 H    7.641500      0.9669000      0.7250000    
 H    7.496500       1.094400      -1.039100    
 H    8.420000     -0.2351000     -0.3185000    
 H   -6.099100      -1.268700      0.4908000    
 H   -8.183900     -0.4637000     -0.4860000    
 H   -7.363100       1.150300     -0.9204000    


%chk=000012999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012999

0 1
O -5.069008 0.352740 -0.022848
C 1.232382 -0.495783 -0.010243
C 2.511467 0.371355 -0.017403
C -0.069134 0.336928 -0.018290
C 3.814559 -0.459508 -0.009945
C -1.348065 -0.530378 -0.010123
C 5.093711 0.407569 -0.017068
C -2.642714 0.314462 -0.019944
C 6.397384 -0.423315 -0.007937
C -3.901220 -0.554693 -0.010834
C 7.669610 0.451711 -0.015787
C -6.318380 -0.279796 -0.007684
C -7.480231 0.417687 -0.024271
H 1.241465 -1.154155 0.883759
H 1.242217 -1.169972 -0.892362
H 2.502560 1.030258 -0.910923
H 2.502096 1.045426 0.864711
H -0.078848 1.011341 0.863135
H -0.078628 0.994393 -0.912447
H 3.823930 -1.118435 0.883733
H 3.824297 -1.133664 -0.892174
H -1.337144 -1.186561 0.885478
H -1.335914 -1.205082 -0.891824
H 5.086711 1.065866 -0.911194
H 5.085103 1.082617 0.864461
H -2.665098 0.963814 -0.916128
H -2.665980 0.983621 0.861511
H 6.403633 -1.080240 0.885965
H 6.404910 -1.097932 -0.888538
H -3.934505 -1.212123 -0.905565
H -3.935988 -1.191008 0.899066
H 7.699228 1.114613 0.869700
H 7.702048 1.094683 -0.915753
H 8.587379 -0.164816 -0.007456
H -6.298448 -1.381267 0.019242
H -8.434456 -0.114359 -0.009957
H -7.490531 1.510902 -0.051462


