%chk=000085259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085259

0 1
 O   -4.053400      0.7244000       1.018500    
 O    3.550900     -0.5031000       1.079500    
 O   -4.292800      0.8160000      -1.282200    
 C   0.2465000      -1.277600     -0.1170000    
 C    1.447400      -2.187400     -0.3654000    
 C  -0.8983000      -2.044500      0.5581000    
 C  -0.2339000     -0.6377000      -1.432200    
 C   -2.083100      -1.120000      0.8589000    
 C    2.629200      -1.406000     -0.9592000    
 C   -1.581100      1.6600000E-02  -1.317600    
 C    1.869900      -2.859500      0.9420000    
 C   -2.399800     -0.1962000     -0.2775000    
 C    3.119800     -0.2913000     -5.0500002E-02
 C   -3.686800      0.5038000     -0.2693000    
 C    3.112000       1.077200     -0.6423000    
 C    2.922700       2.215000      4.8599999E-02
 C    2.910900       3.604100     -0.5259000    
 C    2.720700       2.161600       1.540500    
 C   -5.300700       1.404600       1.192900    
 H   0.5341000     -0.4675000      0.5683000    
 H    1.178400      -2.976900      -1.079500    
 H  -0.5931000      -2.494000       1.508200    
 H   -1.230300      -2.864400     -9.2500001E-02
 H  -0.2866000      -1.386500      -2.232100    
 H   0.4753000      0.1320000      -1.754400    
 H   -1.848000     -0.5222000       1.748700    
 H   -2.953900      -1.740400       1.102900    
 H    2.377000      -1.013000      -1.949500    
 H    3.481100      -2.078100      -1.125000    
 H   -1.864000      0.6815000      -2.129400    
 H    2.876900      -3.284300      0.8610000    
 H    1.208000      -3.700500       1.177300    
 H    1.853900      -2.177300       1.798000    
 H    3.227100       1.125800      -1.721600    
 H    3.688000       4.217400     -5.8800001E-02
 H    3.097500       3.591100      -1.604700    
 H    1.938800       4.079100     -0.3599000    
 H    2.191800       3.057400       1.886800    
 H    2.100200       1.317400       1.855800    
 H    3.684600       2.127900       2.058200    
 H   -5.478200       1.519500       2.265500    
 H   -6.116400      0.8156000      0.7627000    
 H   -5.257600       2.397700      0.7354000    


%chk=000085259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085259

0 1
O -5.135256 -0.443375 1.045238
O 2.243882 0.532212 1.149157
O -4.919030 0.987867 -0.780497
C -0.172937 -1.106226 0.034042
C 1.185269 -1.789946 -0.326549
C -1.248012 -2.131247 0.478184
C -0.729075 -0.282220 -1.159155
C -2.550812 -1.438720 0.940911
C 2.228701 -0.806823 -0.922433
C -2.179044 0.111078 -1.014357
C 1.800254 -2.568668 0.864897
C -3.012888 -0.388890 -0.054857
C 2.685700 0.363570 -0.034170
C -4.405948 0.135865 -0.009214
C 3.674286 1.270937 -0.660458
C 4.249253 2.372812 -0.068372
C 5.250187 3.214225 -0.832942
C 3.942618 2.824899 1.345141
C -6.532121 0.026064 1.176983
H 0.013868 -0.414384 0.878001
H 0.966627 -2.525912 -1.133939
H -0.868999 -2.758477 1.304895
H -1.473718 -2.812299 -0.369863
H -0.613025 -0.860926 -2.104886
H -0.133656 0.641807 -1.306005
H -2.396213 -0.961903 1.930194
H -3.352347 -2.183879 1.093661
H 1.862714 -0.372875 -1.876003
H 3.141160 -1.375425 -1.204066
H -2.584834 0.852575 -1.717103
H 2.785236 -2.990556 0.587509
H 1.161312 -3.412769 1.177921
H 1.946384 -1.898285 1.728909
H 3.964700 1.023049 -1.691292
H 6.219281 3.244103 -0.296621
H 5.426598 2.839226 -1.855015
H 4.900901 4.263740 -0.898376
H 4.552348 3.701498 1.625319
H 2.871856 3.076257 1.455478
H 4.112214 2.008337 2.069304
H -6.932224 -0.519755 2.043326
H -7.103461 -0.205242 0.261818
H -6.557051 1.115982 1.346586


