%chk=000054734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054734

0 1
 O  -0.9955000      -1.062800      0.1934000    
 O  -0.1101000      -2.462900       1.786500    
 C   0.8387000      -2.451100     -0.4646000    
 C    1.570200      -1.205700      -1.035500    
 C    2.446000     -0.4499000     -2.6000001E-02
 C    3.180900      0.7134000     -0.6976000    
 C  -6.6000000E-03  -3.079300      -1.586600    
 C    1.855300      -3.488100      4.1499998E-02
 C    4.092100       1.442100      0.2918000    
 C  -0.1387000      -2.027000      0.6411000    
 C    4.850100       2.582500     -0.3874000    
 C    5.782200       3.288700      0.5842000    
 C   -1.913400     -0.5477000       1.163300    
 C   -2.777000      0.4943000      0.5153000    
 C   -2.372900       1.824800      0.5222000    
 C   -3.973300      0.1203000     -8.6499996E-02
 C   -3.175400       2.793600     -8.0300003E-02
 C   -4.775700       1.089100     -0.6891000    
 C   -4.376800       2.425800     -0.6860000    
 H   0.8418000     -0.5010000      -1.458400    
 H    2.201700      -1.524200      -1.876200    
 H    1.828900     -6.7699999E-02  0.7952000    
 H    3.189200      -1.125200      0.4105000    
 H    2.451200       1.418000      -1.114700    
 H    3.780100      0.3343000      -1.534500    
 H  -0.7057000      -2.358900      -2.026700    
 H   0.6298000      -3.456600      -2.395100    
 H  -0.6017000      -3.918900      -1.208500    
 H    2.386300      -3.139400      0.9332000    
 H    1.351500      -4.420100      0.3239000    
 H    2.596400      -3.729300     -0.7283000    
 H    4.808600      0.7318000      0.7222000    
 H    3.493200       1.839100       1.120600    
 H    5.437100       2.192100      -1.226900    
 H    4.139300       3.308900     -0.7984000    
 H    5.223200       3.717900       1.422000    
 H    6.312700       4.101200      7.7900000E-02
 H    6.527500       2.595500      0.9872000    
 H   -1.358100     -0.1111000       2.002800    
 H   -2.533500      -1.363400       1.556100    
 H   -1.437600       2.121800      0.9886000    
 H   -4.292500     -0.9182000     -9.6799999E-02
 H   -2.864400       3.834200     -7.8599997E-02
 H   -5.710800      0.8028000      -1.161400    
 H   -5.001500       3.179900      -1.155500    


%chk=000054734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054734

0 1
O -1.280832 -1.822364 -0.460908
O -0.508391 -2.363613 1.669113
C 0.886063 -2.905133 -0.330120
C 1.569786 -1.715690 -1.089430
C 1.981376 -0.511791 -0.212854
C 2.632910 0.622030 -1.036960
C 0.418678 -3.963281 -1.371277
C 1.853175 -3.559073 0.685335
C 2.982959 1.864471 -0.187480
C -0.338919 -2.360803 0.426601
C 3.651353 2.995010 -1.002452
C 3.983307 4.238780 -0.149809
C -2.495495 -1.174693 0.156495
C -2.262330 0.301324 0.393460
C -1.680628 0.751216 1.607798
C -2.614761 1.252734 -0.597311
C -1.449733 2.128208 1.821152
C -2.385334 2.630506 -0.384608
C -1.800949 3.070963 0.825955
H 0.875835 -1.363925 -1.877066
H 2.464476 -2.125261 -1.602472
H 1.088383 -0.107675 0.306305
H 2.686109 -0.836481 0.578588
H 1.943380 0.922144 -1.853702
H 3.552524 0.240388 -1.529132
H -0.281915 -3.521205 -2.099385
H 1.296597 -4.353954 -1.918396
H -0.082421 -4.816408 -0.878059
H 2.152184 -2.854232 1.478221
H 1.379640 -4.425532 1.179512
H 2.760515 -3.908434 0.158979
H 3.656527 1.565632 0.643279
H 2.057173 2.252576 0.286745
H 4.579529 2.607411 -1.470622
H 2.981339 3.286606 -1.837247
H 3.067484 4.661421 0.305196
H 4.457061 5.032752 -0.756372
H 4.677439 3.982205 0.672869
H -2.723863 -1.710404 1.093810
H -3.279299 -1.352939 -0.596309
H -1.402786 0.014852 2.370171
H -3.066455 0.911931 -1.537223
H -1.000740 2.466251 2.761759
H -2.663308 3.357507 -1.155895
H -1.624842 4.139572 0.993646


