%chk=000062914.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062914

0 1
 O   -1.597500      0.6337000      0.2432000    
 O   -2.616900      -2.829200     -0.4524000    
 O   -5.042300      -1.601400      0.4597000    
 O   -5.192400       1.177400     -0.2995000    
 O   -1.511100       3.345500     -0.1439000    
 C   -1.482200     -0.6872000     -0.2928000    
 C   -2.661200      -1.549000      0.1718000    
 C   -3.990400     -0.8875000     -0.1932000    
 C   -4.025200      0.5750000      0.2531000    
 C   -2.768100       1.314600     -0.2161000    
 C  -0.1410000      -1.245900      0.1716000    
 C    1.020200     -0.3546000     -0.2682000    
 C    2.359600     -0.9009000      0.2287000    
 C   -2.701800       2.739400      0.3253000    
 C    3.518900      8.6000003E-03 -0.1824000    
 C    4.862100     -0.5558000      0.2861000    
 C    6.022800      0.3390000     -0.1548000    
 C    7.394300     -0.1969000      0.2616000    
 C    8.552300      0.6752000     -0.1978000    
 H   -1.467400     -0.6316000      -1.389900    
 H   -2.622300      -1.704400       1.257600    
 H   -4.184700     -0.9754000      -1.268800    
 H   -4.115200      0.6255000       1.344900    
 H   -2.730800       1.367400      -1.312600    
 H  -0.1324000      -1.315500       1.266800    
 H   1.1200000E-02  -2.256600     -0.2233000    
 H    1.035100     -0.2827000      -1.362500    
 H   0.8890000      0.6623000      0.1200000    
 H    2.518000      -1.907000     -0.1785000    
 H    2.338200     -0.9937000       1.321300    
 H   -2.674300       2.751300       1.419800    
 H   -3.552100       3.338600     -1.2800000E-02
 H    3.528100      0.1187000      -1.273700    
 H    3.371500       1.009000      0.2425000    
 H   -1.877100      -3.324300     -6.2700003E-02
 H   -4.903000      -1.533800       1.419700    
 H   -5.103300       1.172700      -1.267800    
 H    5.001900      -1.562900     -0.1248000    
 H    4.864300     -0.6484000       1.378700    
 H    5.886900       1.342900      0.2662000    
 H    5.999900      0.4482000      -1.246300    
 H  -0.7646000       2.800500      0.1586000    
 H    7.431100     -0.2892000       1.353600    
 H    7.529000      -1.205600     -0.1469000    
 H    8.569900      0.7573000      -1.289200    
 H    8.471500       1.683100      0.2213000    
 H    9.504800      0.2455000      0.1276000    


%chk=000062914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062914

0 1
O -1.665046 0.721540 0.317849
O -2.457943 -2.824722 -0.505899
O -5.117408 -1.726285 0.156828
O -5.308627 1.188665 -0.330486
O -1.655624 3.504437 -0.063749
C -1.445704 -0.622485 -0.267054
C -2.631800 -1.525960 0.147218
C -3.967083 -0.887644 -0.272676
C -4.116405 0.555308 0.234493
C -2.888537 1.379130 -0.200583
C -0.094568 -1.136034 0.237082
C 1.107296 -0.327418 -0.297123
C 2.459698 -0.840148 0.245651
C -2.861245 2.798233 0.371123
C 3.668155 -0.023761 -0.264961
C 5.023532 -0.532582 0.275926
C 6.230323 0.297030 -0.217692
C 7.586290 -0.212842 0.322082
C 8.785618 0.625949 -0.170131
H -1.440747 -0.543821 -1.377869
H -2.618078 -1.641113 1.257234
H -4.052111 -0.900256 -1.374846
H -4.169393 0.546398 1.349248
H -2.847279 1.418182 -1.310472
H -0.101616 -1.107802 1.345800
H -0.006820 -2.197585 -0.062886
H 1.117363 -0.370926 -1.406268
H 0.980221 0.738449 -0.023532
H 2.590117 -1.906004 -0.036458
H 2.442878 -0.812094 1.355420
H -2.918023 2.746997 1.480191
H -3.717435 3.374445 -0.010682
H 3.684709 -0.046940 -1.374721
H 3.536708 1.040863 0.021062
H -3.328007 -3.301709 -0.463933
H -5.120630 -1.773331 1.150030
H -6.046885 0.525094 -0.299917
H 5.161987 -1.593425 -0.021090
H 5.001828 -0.521459 1.386003
H 6.093996 1.357398 0.081972
H 6.253099 0.289230 -1.327712
H -0.888820 2.904585 0.132923
H 7.560674 -0.208641 1.431105
H 7.724176 -1.271012 0.018914
H 8.852565 0.611389 -1.274515
H 8.686037 1.682069 0.144599
H 9.741864 0.242505 0.231300


