%chk=000086671.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086671

0 1
 O   0.1792000      -2.711700     -0.4916000    
 C   0.8439000     -0.5203000      0.3211000    
 C   0.3826000      0.8258000     -0.2917000    
 C   -1.072400       1.176800      5.2400000E-02
 C   -2.019400      6.7000002E-02 -0.4250000    
 C    2.248500     -0.8479000     -0.2543000    
 C    1.340100       1.971000      7.6399997E-02
 C  -0.1676000      -1.603700     -8.1100002E-02
 C   -1.635000      -1.294300      0.1557000    
 C   0.9116000     -0.5073000       1.862800    
 C    3.206900      0.3231000     -0.2474000    
 C    2.784100       1.589000     -8.1000000E-02
 C   -3.437800      0.4088000     -8.7300003E-02
 C    4.656700     -9.2000002E-03 -0.4413000    
 C   -4.371800      0.5786000      -1.248700    
 C   -3.849400      0.5542000       1.181000    
 H   0.4212000      0.7183000      -1.388000    
 H   -1.340900       2.121500     -0.4395000    
 H   -1.166400       1.354700       1.130100    
 H   -1.916200     -3.0000001E-04  -1.517500    
 H    2.159600      -1.198300      -1.291700    
 H    2.685300      -1.680000      0.3137000    
 H    1.174200       2.305000       1.107500    
 H    1.131700       2.831200     -0.5714000    
 H   -2.231900      -2.082100     -0.3207000    
 H   -1.813200      -1.362200       1.234300    
 H    1.665800      0.1886000       2.242600    
 H  -4.5100000E-02 -0.2332000       2.317900    
 H    1.165900      -1.503300       2.245300    
 H    3.504700       2.402300     -6.3000001E-02
 H    5.008000     -0.6616000      0.3645000    
 H    5.288700      0.8850000     -0.4460000    
 H    4.802500     -0.5253000      -1.395800    
 H   -4.023600       1.385500      -1.901800    
 H   -4.424100     -0.3459000      -1.832900    
 H   -5.388800      0.8266000     -0.9269000    
 H   -4.881000      0.8019000       1.409500    
 H   -3.178300      0.4325000       2.024100    


%chk=000086671-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086671

0 1
O 0.241250 -2.799974 -0.229937
C 0.885600 -0.508417 0.387852
C 0.356203 0.755094 -0.383408
C -1.114411 1.096782 -0.052194
C -2.069585 -0.100481 -0.336904
C 2.278359 -0.890131 -0.175302
C 1.300679 1.960073 -0.163083
C -0.119185 -1.659086 0.171025
C -1.586396 -1.347692 0.456020
C 0.999996 -0.251681 1.923580
C 3.217943 0.300236 -0.324805
C 2.763332 1.584536 -0.312210
C -3.539202 0.258158 -0.092841
C 4.685666 -0.035971 -0.503402
C -4.122312 1.304579 -1.031283
C -4.301676 -0.312939 0.877811
H 0.401777 0.494711 -1.464269
H -1.415928 1.973747 -0.656620
H -1.216298 1.396499 1.010224
H -1.971126 -0.336673 -1.421136
H 2.155523 -1.399706 -1.152886
H 2.744495 -1.652159 0.480992
H 1.120026 2.404795 0.840414
H 1.044799 2.758733 -0.889456
H -2.187842 -2.238868 0.207705
H -1.702819 -1.147921 1.540948
H 1.827069 0.451397 2.124325
H 0.076416 0.169347 2.357217
H 1.225996 -1.195440 2.453462
H 3.482026 2.410153 -0.415300
H 5.083666 -0.571572 0.381554
H 5.299429 0.867751 -0.663263
H 4.835084 -0.709927 -1.370510
H -3.637351 2.290778 -0.897520
H -3.970362 1.014329 -2.089550
H -5.204480 1.437149 -0.863720
H -5.351175 -0.027595 1.015674
H -3.916887 -1.081814 1.555096


