%chk=000006989.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006989

0 1
 O  -0.4292000       2.345800      1.9999999E-04
 C   -2.135500      5.4699998E-02   0.000000    
 C  -0.6457000     -4.1299999E-02   0.000000    
 C   -2.764100     -0.5675000       1.260500    
 C   -2.764300     -0.5674000      -1.260500    
 C   0.1430000       1.109300     -9.9999997E-05
 C  -4.3499999E-02  -1.299500       0.000000    
 C    2.135800     -0.2566000       0.000000    
 C    1.533600       1.001600       0.000000    
 C    1.347300      -1.407200       0.000000    
 C    3.622600     -0.3719000     -9.9999997E-05
 H   -2.466000       1.097900      1.3300000E-02
 H   -2.594000      -1.648200       1.313700    
 H   -3.846900     -0.4017000       1.272200    
 H   -2.345500     -0.1167000       2.167100    
 H   -2.348300     -0.1132000      -2.166700    
 H   -3.847500     -0.4038000      -1.270100    
 H   -2.591700      -1.647500      -1.315900    
 H  -0.6363000      -2.210000      5.0000002E-04
 H    2.143400       1.902000      1.7000000E-03
 H    1.804700      -2.393000      1.9000000E-03
 H    4.083500      0.4669000     -0.5326000    
 H    3.998400     -0.3845000       1.027800    
 H    3.948500      -1.288400     -0.5038000    
 H   -1.163600       2.351400     -0.6359000    


%chk=000006989-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006989

0 1
O -0.326685 2.436811 -0.105175
C -2.208574 0.058313 -0.036049
C -0.677796 -0.032674 -0.033238
C -2.817853 -0.540845 1.260140
C -2.818150 -0.604576 -1.300697
C 0.165458 1.113847 -0.065870
C -0.034401 -1.296108 -0.000626
C 2.196958 -0.270433 -0.028325
C 1.574376 0.996330 -0.065149
C 1.368903 -1.424057 0.000153
C 3.711170 -0.391040 0.005641
H -2.522148 1.126868 -0.062493
H -2.584384 -1.618219 1.340388
H -3.918377 -0.431462 1.262988
H -2.413547 -0.042207 2.159022
H -2.411270 -0.153950 -2.223458
H -3.918343 -0.491964 -1.310564
H -2.588362 -1.685407 -1.325417
H -0.650774 -2.203236 0.020617
H 2.167585 1.916536 -0.094240
H 1.826602 -2.419895 0.022445
H 4.196925 0.439500 -0.536128
H 4.087962 -0.369594 1.046815
H 4.050057 -1.339806 -0.446610
H -1.316633 2.438469 -0.110970


