%chk=000080313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080313

0 1
 O   -2.658500      -1.151400     -0.1257000    
 O   -1.572500       2.119100      0.3748000    
 O    2.663200       1.163700      0.1283000    
 O    1.572700      -2.132600     -0.3800000    
 O   -1.128500      -1.808800       1.476200    
 O   -1.696200       1.298100      -1.782200    
 O    1.139600       1.803800      -1.487200    
 O    1.716200      -1.301900       1.771400    
 C  -0.6671000      2.4700001E-02 -1.6500000E-02
 C   0.6834000     -2.9600000E-02  5.7000001E-03
 C   -1.480200      -1.091600      0.5520000    
 C   -1.366700       1.202600     -0.6098000    
 C    1.494000       1.087700     -0.5633000    
 C    1.385300      -1.206700      0.5993000    
 C   -3.565500      -2.169900      0.3079000    
 C   -2.248700       3.313500     -3.0200001E-02
 C    3.556900       2.200500     -0.2892000    
 C    2.228600      -3.336400      3.0700000E-02
 C   -4.819300      -2.106300     -0.5381000    
 C   -2.400300       4.225000       1.169000    
 C    4.802100       2.154000      0.5703000    
 C    2.361300      -4.257600      -1.163300    
 H   -3.820700      -2.007200       1.361000    
 H   -3.092500      -3.151800      0.1958000    
 H   -3.236900       3.056700     -0.4277000    
 H   -1.663800       3.818100     -0.8074000    
 H    3.065400       3.173300     -0.1767000    
 H    3.826600       2.048700      -1.340400    
 H    1.636800      -3.825900      0.8121000    
 H    3.222200      -3.094800      0.4244000    
 H   -4.577600      -2.249500      -1.596400    
 H   -5.293400      -1.123100     -0.4507000    
 H   -5.536700      -2.873100     -0.2326000    
 H   -1.420400       4.475600       1.588500    
 H   -2.967700       3.726900       1.962100    
 H   -2.914400       5.150400      0.8945000    
 H    5.294500       1.179900      0.4826000    
 H    4.546100       2.286500       1.626800    
 H    5.509200       2.935000      0.2774000    
 H    2.935500      -3.774400      -1.960700    
 H    1.376100      -4.493300      -1.579100    
 H    2.859500      -5.190200     -0.8844000    


%chk=000080313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080313

0 1
O -2.828301 -1.009627 -0.069128
O -1.836583 2.046347 0.266877
O 2.816015 1.012894 0.077516
O 1.824765 -2.043099 -0.258813
O -1.032349 -2.316745 0.642366
O -1.675783 1.269459 -1.932234
O 1.020189 2.319479 -0.635322
O 1.663353 -1.266421 1.940327
C -0.681665 -0.006288 -0.104330
C 0.669471 0.009344 0.112292
C -1.485801 -1.234464 0.196889
C -1.427420 1.163597 -0.711790
C 1.473587 1.237480 -0.189103
C 1.415249 -1.160494 0.719833
C -3.754307 -2.158291 0.187096
C -2.500212 3.297138 -0.222615
C 3.742008 2.161505 -0.178975
C 2.488428 -3.293845 0.230743
C -5.153632 -1.684203 -0.186056
C -2.847515 4.119271 1.013079
C 5.141352 1.687483 0.194193
C 2.836073 -4.115876 -1.004923
H -3.664366 -2.437574 1.252510
H -3.414298 -3.012732 -0.425608
H -3.390813 3.009994 -0.810262
H -1.785368 3.809237 -0.891161
H 3.402039 3.016049 0.433608
H 3.652005 2.440615 -1.244428
H 1.773500 -3.806054 0.899114
H 3.378875 -3.006634 0.818592
H -5.197815 -1.387020 -1.247339
H -5.456003 -0.821691 0.431684
H -5.878615 -2.501930 -0.021334
H -1.938607 4.366555 1.587073
H -3.538305 3.567686 1.673447
H -3.335497 5.063109 0.708127
H 5.443706 0.824882 -0.423430
H 5.185580 1.390458 1.255518
H 5.866321 2.505193 0.029325
H 3.526938 -3.564185 -1.665124
H 1.927307 -4.363228 -1.579114
H 3.324093 -5.059677 -0.699920


