%chk=000083958.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083958

0 1
 O   -5.465700      0.9834000       1.082700    
 O  -0.8391000       2.840300      0.1333000    
 O  -0.1681000      -2.603200      0.7568000    
 O   -4.061500      0.4851000      -1.805500    
 O   -6.062000      -1.211900      -2.386200    
 O    2.304400      -2.248600      0.3908000    
 O    1.653600       3.022800     -0.1896000    
 O    4.838000      -2.060500      5.4400001E-02
 C   -4.294700      0.3557000      0.5659000    
 C   -4.016700     -0.8958000       1.393600    
 C   -3.119000       1.335200      0.6292000    
 C   -2.757000      -1.621600      0.9263000    
 C   -1.761900      0.6833000      0.5186000    
 C   -1.587400     -0.6996000      0.6942000    
 C  -0.6406000       1.495600      0.2835000    
 C  -0.2998000      -1.251500      0.5963000    
 C   -4.667700      6.6999998E-03 -0.8481000    
 C   0.6406000      0.9386000      0.1982000    
 C   0.8106000     -0.4354000      0.3521000    
 C    2.155400      -1.040100      0.2589000    
 C    1.803000       1.814600     -5.5399999E-02
 C   -5.822100     -0.9579000      -1.018200    
 C    3.318500     -0.1656000      5.2999998E-03
 C    3.148600       1.212000     -0.1454000    
 C    4.598800     -0.7251000     -8.2699999E-02
 C    4.258900       2.030600     -0.3843000    
 C    5.702600      9.4099998E-02 -0.3214000    
 C    5.533100       1.469100     -0.4716000    
 C    4.797200      -2.850200      -1.131800    
 H   -4.864000      -1.589500       1.425000    
 H   -3.881800     -0.5898000       2.441700    
 H   -3.152800       1.864000       1.592200    
 H   -3.238400       2.110500     -0.1386000    
 H   -2.970100      -2.158900     -5.9000002E-03
 H   -2.514100      -2.362500       1.697600    
 H   -6.115000      0.3010000       1.322400    
 H   -6.734200     -0.5286000     -0.5986000    
 H   -5.609600      -1.916400     -0.5425000    
 H  -4.8099998E-02   3.272400     -0.2208000    
 H  -0.9755000      -3.062000      0.4763000    
 H    4.153100       3.105400     -0.5052000    
 H    6.700400     -0.3315000     -0.3903000    
 H    6.394200       2.104700     -0.6568000    
 H   -5.281900      -1.672200      -2.740100    
 H    3.915500      -2.622100      -1.739500    
 H    4.760300      -3.903800     -0.8417000    
 H    5.704100      -2.681600      -1.720800    


%chk=000083958-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083958

0 1
O -5.508216 0.551196 1.172019
O -1.047818 2.594748 0.139560
O 0.158423 -2.803907 0.982388
O -3.975729 -1.489328 -1.392638
O -5.541790 -0.067920 -3.036343
O 2.752791 -2.020911 1.197088
O 1.373731 3.032576 -0.242960
O 5.189708 -1.808091 -0.540498
C -4.306246 -0.133943 0.643612
C -3.942633 -1.339092 1.539888
C -3.190600 0.934845 0.726433
C -2.584746 -1.990648 1.191234
C -1.787146 0.370066 0.652583
C -1.486064 -0.983169 0.887644
C -0.726731 1.275746 0.351309
C -0.126225 -1.446407 0.812336
C -4.558119 -0.519332 -0.827676
C 0.625357 0.816164 0.280245
C 0.941773 -0.559075 0.538958
C 2.371988 -0.989521 0.552295
C 1.672091 1.775131 -0.065457
C -5.531038 0.330932 -1.647009
C 3.370576 -0.095168 -0.113193
C 3.056397 1.300226 -0.269617
C 4.702430 -0.511375 -0.445465
C 4.042304 2.249111 -0.617163
C 5.693682 0.462965 -0.754936
C 5.373058 1.828558 -0.826255
C 4.325737 -2.950484 -0.884668
H -4.737655 -2.108756 1.486005
H -3.918594 -0.953072 2.576521
H -3.342295 1.456165 1.692579
H -3.314607 1.715565 -0.044443
H -2.723207 -2.645995 0.308651
H -2.295110 -2.629899 2.052069
H -6.218817 -0.120714 1.341737
H -5.254487 1.400149 -1.552781
H -6.548191 0.232281 -1.214467
H -0.139166 3.087555 -0.055794
H -0.675798 -3.331260 1.068229
H 3.744721 3.297318 -0.709011
H 6.703337 0.099187 -0.968626
H 6.151284 2.557005 -1.075210
H -4.927307 -0.850663 -3.126023
H 3.866684 -3.366374 0.025716
H 5.003538 -3.672730 -1.365369
H 3.530824 -2.640453 -1.589199


