%chk=000061408.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061408

0 1
 O  -0.8101000     -0.1762000      0.2238000    
 O   0.4138000     -7.7600002E-02  -1.729600    
 C    1.526900      9.8600000E-02  0.4248000    
 C    2.219100       1.445400      0.1595000    
 C    2.507800      -1.066600      0.2153000    
 C   0.3361000     -5.9200000E-02 -0.5078000    
 C    1.291600       2.634900      0.3740000    
 C    1.891600      -2.420200      0.5455000    
 C   -2.012300     -0.3331000     -0.5362000    
 C   -3.164400     -0.4460000      0.4061000    
 C   -4.200100      0.4001000      0.4246000    
 H    1.175800      8.2900003E-02   1.464800    
 H    3.082400       1.547500      0.8281000    
 H    2.604100       1.480600     -0.8672000    
 H    2.863900      -1.084800     -0.8222000    
 H    3.388100     -0.9190000      0.8527000    
 H   0.4677000       2.641300     -0.3460000    
 H    1.847400       3.569800      0.2492000    
 H   0.8691000       2.625200       1.383800    
 H    1.065900      -2.663500     -0.1300000    
 H    2.644600      -3.208800      0.4473000    
 H    1.514700      -2.438800       1.573100    
 H   -2.130200      0.5236000      -1.210200    
 H   -1.947000      -1.250400      -1.132600    
 H   -3.152800      -1.271500       1.113000    
 H   -5.008900      0.2626000       1.134100    
 H   -4.260900       1.238500     -0.2604000    


%chk=000061408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000061408

0 1
O -0.903379 0.610524 0.442696
O 0.120320 0.007800 -1.564080
C 1.495026 0.293662 0.474267
C 2.514425 1.275192 -0.169700
C 2.075048 -1.149653 0.548549
C 0.207516 0.280031 -0.342324
C 2.039691 2.743618 -0.189091
C 1.165380 -2.151885 1.290305
C -2.233295 0.624857 -0.266936
C -2.805602 -0.763907 -0.388163
C -3.934066 -1.169211 0.245200
H 1.243525 0.637783 1.495091
H 3.462362 1.197212 0.398139
H 2.725052 0.934272 -1.201805
H 2.267599 -1.502716 -0.483275
H 3.056758 -1.090880 1.058650
H 1.128986 2.863119 -0.804461
H 2.817636 3.402685 -0.615452
H 1.809204 3.104784 0.830603
H 0.190417 -2.268279 0.782405
H 1.639023 -3.149221 1.339879
H 0.963521 -1.818112 2.325065
H -2.857715 1.276625 0.363367
H -2.074955 1.075482 -1.264098
H -2.260556 -1.448116 -1.051594
H -4.333937 -2.180730 0.113852
H -4.494083 -0.499635 0.910414


