%chk=000083843.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083843

0 1
 O   -5.634400      0.7499000      0.9375000    
 O   -2.620000      -2.941400      0.9845000    
 O   -1.016700       2.788400      0.5778000    
 O  -0.2793000      -2.636200     -0.1217000    
 O   -4.722300     -0.8070000      -1.805500    
 O    2.192100      -2.181000     -0.3364000    
 O    1.478500       3.067000      0.3679000    
 O    4.728300      -1.892900     -0.5693000    
 C   -4.449000      0.2606000      0.3154000    
 C   -4.181800      -1.145700      0.8359000    
 C   -3.282500       1.198100      0.6351000    
 C   -2.902500      -1.748400      0.2523000    
 C   -1.916100      0.5925000      0.4193000    
 C   -1.728400     -0.7930000      0.2687000    
 C  -0.8015000       1.448200      0.4090000    
 C  -0.4290000      -1.288100      5.8899999E-02
 C   -4.777500      0.2332000      -1.151300    
 C   0.4887000      0.9412000      0.2198000    
 C   0.6744000     -0.4268000      3.9799999E-02
 C    2.028600     -0.9781000     -0.1731000    
 C    1.642500       1.863800      0.2077000    
 C   -5.179600       1.540200      -1.779300    
 C    3.183800     -5.7399999E-02 -0.1851000    
 C    2.997300       1.314100     -7.9999998E-04
 C    4.472900     -0.5666000     -0.3826000    
 C    4.099900       2.176700     -1.4100000E-02
 C    5.568900      0.2966000     -0.3956000    
 C    5.382800       1.665300     -0.2116000    
 C    4.981900      -2.673200      0.5968000    
 H   -5.028000      -1.818500      0.6392000    
 H   -4.116300      -1.118700       1.933700    
 H   -3.347100       1.493200       1.692000    
 H   -3.406500       2.120400      6.1900001E-02
 H   -3.063300      -2.063100     -0.7828000    
 H   -6.336900      8.6599998E-02  0.8255000    
 H   -2.261300      -2.685200       1.851600    
 H   -5.841100       2.112600      -1.125700    
 H   -4.290200       2.125800      -2.022500    
 H   -5.725700       1.335600      -2.705400    
 H   -1.751200       3.070900      1.0100000E-02
 H   -1.131500      -3.079200     -0.2498000    
 H    3.981300       3.247700      0.1268000    
 H    6.573100     -8.9699998E-02 -0.5498000    
 H    6.237700       2.335300     -0.2222000    
 H    5.989100      -2.464500      0.9705000    
 H    4.923500      -3.729900      0.3220000    
 H    4.247800      -2.474000       1.384300    


%chk=000083843-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083843

0 1
O -5.785161 0.854299 0.553585
O -2.744200 -3.038688 1.115226
O -1.078200 2.832851 0.943051
O -0.282151 -2.683993 0.243350
O -4.604404 -0.835946 -2.058159
O 2.308757 -2.162424 0.923497
O 1.551918 3.095967 1.003586
O 4.572043 -1.904391 -0.850682
C -4.495864 0.246065 0.137103
C -4.345318 -1.176975 0.700123
C -3.425845 1.167870 0.747575
C -2.975486 -1.775463 0.342385
C -2.020292 0.582261 0.678602
C -1.811402 -0.805232 0.523916
C -0.896477 1.458084 0.761357
C -0.480616 -1.329138 0.445781
C -4.506558 0.250302 -1.427335
C 0.433222 0.959222 0.640637
C 0.640368 -0.454464 0.500252
C 2.039795 -1.003720 0.486606
C 1.615284 1.881341 0.640351
C -4.470559 1.593274 -2.131739
C 3.113037 -0.083268 0.000973
C 2.914368 1.321896 0.132429
C 4.350398 -0.553525 -0.539557
C 3.938405 2.235784 -0.211387
C 5.354621 0.373131 -0.909626
C 5.157181 1.760432 -0.733631
C 5.193204 -2.740688 0.200093
H -5.130703 -1.840778 0.297596
H -4.459949 -1.115706 1.800899
H -3.729871 1.345633 1.799219
H -3.487150 2.147501 0.233779
H -2.995961 -2.142868 -0.698580
H -6.527468 0.245137 0.301627
H -2.773820 -2.840143 2.086984
H -5.060444 2.348898 -1.585272
H -3.424653 1.954270 -2.190699
H -4.849401 1.483990 -3.159717
H -2.038654 3.053088 1.048936
H -1.122399 -3.182207 0.506354
H 3.748728 3.303344 -0.066623
H 6.276672 -0.017253 -1.352974
H 5.947151 2.463929 -1.017378
H 6.160213 -2.304581 0.521181
H 5.361255 -3.718696 -0.275423
H 4.499787 -2.843122 1.051128


