%chk=000193336.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193336

0 1
O 2.698122 0.629973 -0.800757
O -2.697435 -0.631659 -0.802188
O 1.510568 -0.142908 -0.699499
O -1.509922 0.141496 -0.701319
O 0.841533 1.391380 0.895532
O -0.842418 -1.389774 0.897234
C 3.816039 -0.078067 -0.142533
C -3.815828 0.077751 -0.146426
C 4.014875 -1.436903 -0.800337
C 4.909482 0.933769 -0.499835
C 3.560121 -0.178147 1.354681
C -4.013216 1.436047 -0.805738
C -4.909402 -0.933887 -0.503962
C -3.561875 0.179165 1.351109
C 0.645438 0.434661 0.203711
C -0.645716 -0.434333 0.203787
H 4.217861 -1.338806 -1.874038
H 4.844206 -1.991345 -0.349725
H 3.111182 -2.054909 -0.707939
H 4.795914 1.868519 0.064009
H 4.879399 1.196028 -1.566776
H 5.902470 0.524502 -0.285016
H 2.860595 -0.985821 1.600841
H 4.483252 -0.366644 1.912745
H 3.121594 0.755116 1.741679
H -4.216837 1.337130 -1.879230
H -4.841640 1.992066 -0.355363
H -3.108674 2.053000 -0.714410
H -4.793230 -1.870359 0.056530
H -4.882386 -1.192528 -1.571792
H -5.902037 -0.526203 -0.284509
H -2.862918 0.987277 1.597495
H -4.485733 0.367720 1.907885
H -3.123384 -0.753610 1.739352


%chk=000193336-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193336

0 1
O 2.639792 0.978842 0.014848
O -2.638329 -0.977789 0.013780
O 1.331997 0.155825 0.106878
O -1.331717 -0.152893 0.105727
O 0.984589 1.169343 2.227411
O -0.985467 -1.161898 2.228638
C 3.782199 0.012511 -0.206599
C -3.781896 -0.013300 -0.209725
C 3.581508 -0.741870 -1.532886
C 4.942343 1.032266 -0.281009
C 3.914723 -0.928192 1.003950
C -3.581519 0.739350 -1.537041
C -4.940650 -1.034699 -0.283164
C -3.916254 0.929059 0.999334
C 0.649020 0.432503 1.292836
C -0.650171 -0.425769 1.293402
H 3.486520 -0.032603 -2.372915
H 4.444309 -1.404754 -1.726383
H 2.669844 -1.361605 -1.494690
H 5.046180 1.583391 0.668688
H 4.779205 1.756349 -1.097304
H 5.882351 0.486829 -0.478843
H 3.064184 -1.629901 1.054182
H 4.841136 -1.524437 0.921321
H 3.951421 -0.348964 1.942370
H -3.485399 0.028979 -2.376008
H -4.444979 1.400993 -1.731832
H -2.670566 1.360165 -1.499373
H -5.044425 -1.584310 0.667416
H -4.775996 -1.759993 -1.098083
H -5.881235 -0.490848 -0.482608
H -3.066732 1.632054 1.048836
H -4.843479 1.523862 0.915431
H -3.952504 0.351200 1.938614


