%chk=000082704.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082704

0 1
 O    4.652900      0.8526000     -0.3628000    
 C   -3.799600     -0.2177000      0.3268000    
 C   -2.336900      3.9600000E-02  0.1916000    
 C   0.3844000      0.5177000     -5.9599999E-02
 C    1.862300      0.7773000     -0.1961000    
 C   -1.706700     -0.1466000      -1.038800    
 C   -1.598700      0.4660000       1.295800    
 C  -0.3385000      9.3699999E-02  -1.165000    
 C  -0.2306000      0.7065000       1.169500    
 C    2.685300     -0.4762000      9.4800003E-02
 C   -4.172100      -1.687900      5.0799999E-02
 C   -4.651300      0.7138000     -0.5583000    
 C    4.179000     -0.2321000     -2.9100001E-02
 C    5.070700      -1.406600      0.2804000    
 H   -4.098500     -1.4100000E-02   1.364400    
 H    2.079900       1.147900      -1.206600    
 H    2.157900       1.590400      0.4801000    
 H   -2.262200     -0.4788000      -1.911400    
 H   -2.073600      0.6154000       2.261800    
 H   0.1436000     -5.6000002E-02  -2.126900    
 H   0.3360000       1.036600       2.035500    
 H    2.417000      -1.277400     -0.6038000    
 H    2.486600     -0.8305000       1.113100    
 H   -3.981300      -1.968900     -0.9905000    
 H   -5.234900      -1.859300      0.2535000    
 H   -3.593800      -2.362300      0.6919000    
 H   -4.417100       1.764500     -0.3546000    
 H   -5.717900      0.5620000     -0.3604000    
 H   -4.480300      0.5324000      -1.624800    
 H    6.117900      -1.117900      0.1555000    
 H    4.912700      -1.724000       1.314000    
 H    4.846300      -2.227300     -0.4053000    


%chk=000082704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082704

0 1
O 4.763559 0.858256 -0.356336
C -3.884953 -0.238192 0.341391
C -2.386993 0.046509 0.199067
C 0.427563 0.595659 -0.058302
C 1.922697 0.844049 -0.186404
C -1.715311 -0.128991 -1.039691
C -1.624443 0.504310 1.302471
C -0.336482 0.141036 -1.164969
C -0.242798 0.773962 1.177626
C 2.741957 -0.437836 0.099336
C -4.212902 -1.730733 0.068627
C -4.733044 0.686884 -0.572064
C 4.256579 -0.246868 -0.025762
C 5.122512 -1.472243 0.254522
H -4.166309 -0.020827 1.391969
H 2.176135 1.203615 -1.200170
H 2.250427 1.635251 0.512095
H -2.275399 -0.473936 -1.917774
H -2.120838 0.657030 2.269393
H 0.155622 0.007973 -2.137308
H 0.319692 1.137144 2.047509
H 2.434320 -1.253121 -0.588668
H 2.517244 -0.822771 1.115786
H -3.966084 -2.007185 -0.973620
H -5.290406 -1.926925 0.223317
H -3.638306 -2.394936 0.739009
H -4.528259 1.751902 -0.361761
H -5.812748 0.502109 -0.418494
H -4.507934 0.504204 -1.639473
H 6.186581 -1.226289 0.116408
H 4.960140 -1.831730 1.288467
H 4.846681 -2.304510 -0.420699


