%chk=000100207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100207

0 1
 O    2.263800     -0.8583000       1.249900    
 O    1.186900       2.563900      0.8240000    
 O    4.339100     -0.5731000      0.3201000    
 O  -0.8374000      -2.691600      -1.724700    
 C   0.9157000      0.3889000     -0.3041000    
 C   0.8928000     -0.5198000      0.9454000    
 C   0.3659000       1.829900     -8.7499999E-02
 C   0.1080000      -1.846900      0.7844000    
 C    2.356100      0.3509000     -0.6847000    
 C   -1.038400       1.792500      0.4571000    
 C    3.133900     -0.3961000      0.3146000    
 C   -1.323700      -1.659300      0.3430000    
 C   -2.176800       1.566300     -0.2304000    
 C   -3.419600       1.145400      0.5419000    
 C   -3.538100     -0.3962000      0.6658000    
 C   -2.226200      -1.008200       1.100800    
 C    2.932700      0.8810000      -1.766800    
 C   -2.290700       1.531300      -1.726400    
 C   -1.644000      -2.100800      -1.022700    
 H   0.3366000     -7.0000000E-02  -1.114100    
 H   0.5096000      5.9000002E-03   1.826500    
 H   0.3937000       2.387800      -1.029100    
 H   0.1215000      -2.381500       1.744200    
 H   0.6637000      -2.507900      0.1082000    
 H   -1.099700       1.773800       1.545700    
 H   -3.400900       1.581100       1.550100    
 H   -4.317800       1.550500      6.0600001E-02
 H   -3.908700     -0.8035000     -0.2772000    
 H   -4.302900     -0.6374000       1.413900    
 H   -1.921800     -0.7231000       2.108200    
 H    2.343000       1.421500      -2.499800    
 H    3.997400      0.7901000      -1.953100    
 H    1.231600       2.076600       1.663600    
 H   -3.017700       2.279200      -2.059800    
 H   -2.631200      0.5496000      -2.068000    
 H   -1.346800       1.745200      -2.233600    
 H   -2.659600      -1.910000      -1.392000    


%chk=000100207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100207

0 1
O 2.233033 -0.761028 1.375539
O 1.297945 2.627662 0.810014
O 4.372253 -0.482010 0.493899
O -0.823892 -2.624049 -1.890074
C 0.899869 0.402697 -0.325186
C 0.822265 -0.507824 0.948940
C 0.385184 1.870177 -0.057733
C 0.108015 -1.868868 0.744586
C 2.363882 0.337349 -0.719880
C -1.022908 1.824400 0.511730
C 3.146956 -0.314774 0.378185
C -1.332032 -1.664799 0.279801
C -2.179979 1.577586 -0.166047
C -3.427646 1.175013 0.615758
C -3.580576 -0.401312 0.642908
C -2.257486 -1.007539 1.058183
C 2.960863 0.767378 -1.857585
C -2.269437 1.487525 -1.676790
C -1.667366 -2.127833 -1.087529
H 0.261504 -0.015645 -1.122831
H 0.357620 0.021143 1.801180
H 0.429035 2.420558 -1.013582
H 0.151441 -2.428802 1.696480
H 0.653347 -2.453905 -0.017442
H -1.072389 1.882098 1.610638
H -3.355422 1.539162 1.658039
H -4.348796 1.601750 0.174808
H -3.914637 -0.754019 -0.347255
H -4.374428 -0.657011 1.370404
H -1.953174 -0.746059 2.085286
H 2.400616 1.235087 -2.674531
H 4.043734 0.652449 -1.981476
H 1.340604 2.201488 1.705081
H -3.193154 1.975871 -2.040097
H -2.311857 0.434001 -2.022259
H -1.412897 1.964345 -2.182401
H -2.740091 -2.054563 -1.384762


