%chk=000029212.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029212

0 1
 O    5.107600      0.9215000     -0.7756000    
 O  -0.9356000       2.822700      0.5414000    
 O    3.152200       1.664700      -1.643200    
 C   0.7261000      -1.053700      0.4154000    
 C    1.546100      0.2356000      8.7300003E-02
 C    3.102500      8.1500001E-02  0.2233000    
 C    1.219100      -2.203900     -0.5220000    
 C    3.569000      -1.366500     -4.5899998E-02
 C    2.656700      -2.077400      -1.030500    
 C   0.9964000       1.456500      0.8332000    
 C  -0.7770000     -0.7843000      0.1982000    
 C   0.8639000      -1.495100       1.893000    
 C    3.688500      0.5578000       1.563100    
 C   -1.313600      0.5157000      0.2300000    
 C  -0.4567000       1.692100      0.5133000    
 C    3.747200      0.9678000     -0.8248000    
 C   -1.674100      -1.854900      3.5000001E-03
 C   -2.685300      0.7324000      2.5200000E-02
 C   -3.542400     -0.3431000     -0.1928000    
 C   -3.038500      -1.637500     -0.1963000    
 C   -4.998400     -0.1072000     -0.4129000    
 C   -5.275500      0.7192000      -1.683100    
 C   -5.678100      0.5560000      0.8001000    
 H    1.323100      0.4203000     -0.9766000    
 H   0.5863000      -2.275400      -1.417000    
 H    1.113100      -3.169700     -9.9999998E-03
 H    3.598800      -1.944300      0.8852000    
 H    4.593300      -1.403500     -0.4358000    
 H    3.050200      -3.076800      -1.250600    
 H    2.658000      -1.533900      -1.983900    
 H    1.543200       2.353700      0.5196000    
 H    1.092000       1.366800       1.919600    
 H    1.889100      -1.750300       2.165000    
 H   0.5185000     -0.7211000       2.587000    
 H   0.2600000      -2.387800       2.099100    
 H    3.617400       1.645600       1.678400    
 H    3.176700      9.8999999E-02   2.413800    
 H    4.750400      0.2999000       1.657700    
 H   -1.319000      -2.882800      8.3999997E-03
 H   -3.086100       1.742900      4.3699998E-02
 H   -3.691000      -2.492700     -0.3510000    
 H    5.516400       1.497600      -1.456300    
 H   -5.496800      -1.075600     -0.5574000    
 H   -4.880300       1.737700      -1.603600    
 H   -6.353100      0.7931000      -1.865400    
 H   -4.817400      0.2492000      -2.560500    
 H   -5.506800     -2.9600000E-02   1.710200    
 H   -6.760000      0.6245000      0.6432000    
 H   -5.302700       1.569500      0.9776000    


%chk=000029212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029212

0 1
O 5.142889 1.234021 -0.560830
O -0.919572 2.905270 0.442046
O 3.287284 1.323551 -1.929237
C 0.751790 -1.071715 0.409651
C 1.574760 0.215966 0.057795
C 3.136118 0.080880 0.241110
C 1.231382 -2.246355 -0.531174
C 3.598229 -1.399298 -0.050215
C 2.675839 -2.078322 -1.076352
C 1.025022 1.478099 0.756758
C -0.751713 -0.787966 0.178967
C 0.880457 -1.509865 1.906079
C 3.667441 0.512013 1.635153
C -1.302281 0.529870 0.199526
C -0.445724 1.729749 0.449152
C 3.800494 0.941132 -0.852422
C -1.656036 -1.863345 -0.008413
C -2.693796 0.737741 0.007714
C -3.586202 -0.335620 -0.190336
C -3.037508 -1.645424 -0.188834
C -5.085505 -0.106268 -0.394478
C -5.363210 0.716402 -1.681200
C -5.730874 0.573116 0.843028
H 1.417236 0.372609 -1.028642
H 0.542413 -2.333673 -1.391153
H 1.162585 -3.199739 0.028843
H 3.585089 -1.962065 0.902305
H 4.649466 -1.396487 -0.393053
H 3.078900 -3.071341 -1.351833
H 2.664198 -1.478045 -2.006680
H 1.585699 2.382485 0.458216
H 1.122085 1.396368 1.858840
H 1.895616 -1.866382 2.149302
H 0.622145 -0.689016 2.599281
H 0.180625 -2.340738 2.108406
H 3.532570 1.591330 1.818463
H 3.144695 -0.041177 2.432770
H 4.746428 0.298776 1.710955
H -1.278592 -2.891767 -0.019771
H -3.045130 1.775903 0.029042
H -3.704365 -2.505026 -0.333905
H 5.527584 1.748588 -1.321759
H -5.561529 -1.100189 -0.520168
H -4.913322 1.723968 -1.610594
H -6.451324 0.841123 -1.834565
H -4.940859 0.220116 -2.573462
H -5.568425 -0.023622 1.758736
H -6.820150 0.693514 0.695030
H -5.299526 1.577053 1.012204


