%chk=000052646.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052646

0 1
 O    2.932900      -1.995400     -0.3035000    
 O   -3.356500     -8.6900003E-02   1.629600    
 O    4.440800     -0.3524000      0.2435000    
 O   -4.347700      0.7395000     -0.8323000    
 O    1.244500       2.315300     -0.1209000    
 C    1.071700     -0.6455000     -0.2949000    
 C  -0.3441000     -0.2844000     -0.4318000    
 C    1.515500      -2.046900     -0.4907000    
 C    2.107500      0.1358000      2.2200000E-02
 C   -1.192300     -0.3559000      0.6732000    
 C    3.302500     -0.7212000      9.8000001E-03
 C  -0.8418000      0.1301000      -1.667300    
 C   -2.538000     -1.2900000E-02  0.5430000    
 C    2.098400       1.554600      0.3538000    
 C   -2.187500      0.4730000      -1.797600    
 C   -3.035600      0.4015000     -0.6924000    
 C    3.154100       2.078400       1.301800    
 C   -4.024500      -1.326800       1.854400    
 H    1.307400      -2.412500      -1.500900    
 H    1.084300      -2.730300      0.2473000    
 H  -0.8116000     -0.6775000       1.640300    
 H  -0.1929000      0.1907000      -2.537700    
 H   -2.562000      0.7944000      -2.765700    
 H    3.375700       1.343200       2.080200    
 H    2.774100       2.976900       1.797500    
 H    4.058900       2.330500      0.7439000    
 H   -4.511100      0.9999000      -1.755100    
 H   -4.643300      -1.225100       2.750200    
 H   -4.672300      -1.575000       1.007800    
 H   -3.298200      -2.128900       2.019800    


%chk=000052646-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052646

0 1
O 2.914257 -1.911337 0.842101
O -3.515217 -1.567975 1.328835
O 4.670942 -0.486772 0.314790
O -4.503401 0.646413 -0.257693
O 1.748476 2.212516 -1.270303
C 1.092502 -0.470469 0.210876
C -0.326270 -0.140984 0.041248
C 1.449709 -1.837075 0.796385
C 2.291158 0.210217 -0.015240
C -1.302690 -0.971584 0.676465
C 3.441933 -0.672486 0.371240
C -0.800505 0.944747 -0.756482
C -2.684063 -0.733418 0.571714
C 2.553975 1.600398 -0.501585
C -2.177833 1.189296 -0.869756
C -3.129197 0.382777 -0.202048
C 3.824912 2.289705 -0.035870
C -4.760168 -2.084318 0.716675
H 1.080395 -2.665899 0.165746
H 1.074751 -1.970877 1.827307
H -1.020646 -1.824610 1.300842
H -0.076233 1.571944 -1.282761
H -2.524097 2.031858 -1.483331
H 3.901579 2.279871 1.067204
H 3.820892 3.325907 -0.406104
H 4.715944 1.749677 -0.401902
H -4.682129 1.466987 -0.782038
H -5.171201 -2.773326 1.469424
H -5.467948 -1.267875 0.506044
H -4.530927 -2.637108 -0.214283


