%chk=000062588.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062588

0 1
 O    5.235200       1.061400     -0.3005000    
 O    4.643000     -0.9811000      0.5926000    
 C  -0.5785000      -1.063300      0.1138000    
 C   -1.984300     -0.6041000     -0.2787000    
 C   0.4639000      1.2600000E-02 -0.2014000    
 C   -3.068400      -1.653200     -4.4999998E-03
 C    1.875900     -0.4611000      0.1571000    
 C   -4.502300      -1.243400     -0.3579000    
 C    2.943700      0.5802000     -0.1773000    
 C   -4.958900      1.3000000E-03  0.3469000    
 C    4.351100      0.1021000      0.1048000    
 C   -5.287100       1.137700     -0.2845000    
 C   -5.751800       2.372300      0.4144000    
 C    6.618400      0.7385000     -0.1249000    
 H  -0.5543000      -1.299300       1.184400    
 H  -0.3325000      -1.985100     -0.4269000    
 H   -2.000400     -0.3497000      -1.345800    
 H   -2.214700      0.3166000      0.2702000    
 H   0.4230000      0.2626000      -1.268500    
 H   0.2315000      0.9283000      0.3555000    
 H   -2.825700      -2.567500     -0.5606000    
 H   -3.032500      -1.923300       1.059100    
 H    1.923500     -0.7020000       1.226600    
 H    2.095600      -1.391800     -0.3814000    
 H   -5.182800      -2.061300     -9.3000002E-02
 H   -4.576100      -1.118000      -1.445400    
 H    2.881800      0.8322000      -1.242300    
 H    2.768400       1.487600      0.4114000    
 H   -5.026900     -4.8500001E-02   1.430800    
 H   -5.221600       1.188300      -1.368200    
 H   -5.793000       2.243900       1.500700    
 H   -6.752400       2.644100      6.4800002E-02
 H   -5.073200       3.202200      0.1947000    
 H    6.877200     -0.1492000     -0.7099000    
 H    6.839000      0.5814000      0.9352000    
 H    7.212900       1.582100     -0.4857000    


%chk=000062588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062588

0 1
O 5.362178 1.039474 -0.343175
O 4.748239 -0.928553 0.740540
C -0.574795 -1.063579 0.065863
C -1.993555 -0.611417 -0.346462
C 0.523721 -0.046715 -0.317876
C -3.087935 -1.633306 0.032424
C 1.940517 -0.507837 0.088839
C -4.519607 -1.197037 -0.386899
C 3.021112 0.515698 -0.308985
C -5.022114 0.023312 0.359566
C 4.423601 0.096360 0.099576
C -5.454889 1.176430 -0.214797
C -5.969422 2.386395 0.534274
C 6.774657 0.749086 0.002601
H -0.548446 -1.235203 1.162371
H -0.348556 -2.042649 -0.406310
H -2.020081 -0.440478 -1.443572
H -2.225084 0.365104 0.124338
H 0.490382 0.129011 -1.413908
H 0.299336 0.929971 0.160384
H -2.856642 -2.609455 -0.441324
H -3.066137 -1.805563 1.128955
H 1.981761 -0.680006 1.181397
H 2.166958 -1.483853 -0.382028
H -5.210177 -2.046635 -0.200072
H -4.542392 -1.002429 -1.477836
H 3.020333 0.690643 -1.402656
H 2.815255 1.503710 0.148872
H -5.030485 -0.057145 1.459658
H -5.440056 1.253229 -1.313823
H -5.943672 2.225140 1.626772
H -7.013436 2.621600 0.247848
H -5.366294 3.287140 0.305678
H 7.087560 -0.212617 -0.437967
H 6.898986 0.700319 1.097650
H 7.345878 1.585356 -0.424317


