%chk=000097774.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097774

0 1
 O    4.637000     -8.4899999E-02 -0.2075000    
 O    7.015600      -1.363100      0.6120000    
 O    9.440600     -0.3311000     -0.2497000    
 C   -2.854300     -0.3500000     -0.1486000    
 C   -1.615000      0.4952000      0.1550000    
 C   -4.171300      0.3815000      0.1320000    
 C  -0.2989000     -0.2324000     -0.1377000    
 C   -5.450200     -0.4398000     -6.6900000E-02
 C   0.9410000      0.6205000      0.1426000    
 C   -6.732000      0.3625000      0.1710000    
 C    2.225800     -0.1442000     -0.1929000    
 C   -8.009100     -0.4349000     -0.1137000    
 C   -9.291400      0.3713000      9.7000003E-02
 C    3.477100      0.6743000      0.1019000    
 C   -10.52780     -0.4870000     -0.1250000    
 C    5.826500      0.6476000      5.5300001E-02
 C    7.044400     -0.2190000     -0.2446000    
 C    8.342000      0.5334000      1.9800000E-02
 H   -2.819700      -1.266200      0.4535000    
 H   -2.835600     -0.6612000      -1.200200    
 H   -1.655200       1.417000     -0.4384000    
 H   -1.632100      0.7964000       1.209700    
 H   -4.155500      0.7506000       1.165500    
 H   -4.218500       1.269500     -0.5113000    
 H  -0.2910000     -0.5454000      -1.189200    
 H  -0.2534000      -1.147600      0.4656000    
 H   -5.458800     -0.8362000      -1.089600    
 H   -5.432100      -1.304600      0.6074000    
 H   0.8963000       1.541400     -0.4511000    
 H   0.9512000      0.9149000       1.198800    
 H   -6.721300       1.254800     -0.4673000    
 H   -6.748800      0.7161000       1.209200    
 H    2.266700      -1.080900      0.3770000    
 H    2.226600     -0.4372000      -1.250200    
 H   -8.025500      -1.319100      0.5358000    
 H   -7.981200     -0.8027000      -1.146900    
 H   -9.312600      0.7748000       1.115900    
 H   -9.310900       1.224000     -0.5912000    
 H    3.469900       1.591400     -0.4989000    
 H    3.495300      0.9515000       1.162600    
 H   -10.55230      -1.328800      0.5742000    
 H   -11.43380      0.1078000      2.7799999E-02
 H   -10.55060     -0.8854000      -1.144400    
 H    5.844600       1.548400     -0.5691000    
 H    5.829900      0.9459000       1.111000    
 H    7.012300     -0.6015000      -1.270200    
 H    8.423700       1.415000     -0.6235000    
 H    8.414300      0.8421000       1.068100    
 H    7.034600      -1.050000       1.532500    
 H    10.25150      0.1761000     -7.4100003E-02


%chk=000097774-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097774

0 1
O 4.674030 0.009218 -0.035057
O 7.345967 -0.928527 1.307160
O 9.376551 -0.609073 -0.493428
C -2.901065 -0.278140 -0.092999
C -1.651931 0.562517 0.254619
C -4.231182 0.455190 0.191775
C -0.321895 -0.165524 -0.043398
C -5.481720 -0.384220 -0.154165
C 0.926504 0.676230 0.304598
C -6.810767 0.354846 0.121457
C 2.250918 -0.053197 -0.017201
C -8.062567 -0.481957 -0.226354
C -9.391062 0.260776 0.044678
C 3.483160 0.785985 0.332335
C -10.636473 -0.583258 -0.303252
C 5.920192 0.721457 0.255957
C 7.077272 -0.250659 0.032821
C 8.356109 0.456992 -0.443001
H -2.875786 -1.227587 0.481765
H -2.863331 -0.563761 -1.165247
H -1.682498 1.515628 -0.314139
H -1.684974 0.840842 1.328959
H -4.268367 0.743108 1.263525
H -4.256322 1.403667 -0.384966
H -0.288339 -0.441772 -1.117968
H -0.290124 -1.119027 0.523552
H -5.441397 -0.677543 -1.224279
H -5.461031 -1.329743 0.427307
H 0.885488 1.635479 -0.253252
H 0.899209 0.940325 1.382620
H -6.830095 1.300959 -0.459394
H -6.851732 0.647343 1.191826
H 2.304227 -1.008341 0.539712
H 2.290543 -0.308711 -1.093982
H -8.047291 -1.426621 0.356900
H -8.021564 -0.777441 -1.295886
H -9.430431 0.557438 1.112836
H -9.406401 1.203257 -0.540077
H 3.470272 1.752271 -0.224517
H 3.506337 1.018443 1.421362
H -10.659556 -1.517643 0.289014
H -11.572166 -0.030672 -0.098877
H -10.637482 -0.865608 -1.373165
H 6.008784 1.609296 -0.413459
H 5.943865 1.067257 1.311192
H 6.772568 -0.986552 -0.740531
H 8.200651 0.906666 -1.445384
H 8.649923 1.245140 0.282160
H 8.175122 -1.460025 1.171545
H 10.267858 -0.223928 -0.676699


