%chk=000029772.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029772

0 1
 O    3.988400      -2.459900     -0.2512000    
 O    5.652900     -0.9756000      0.2509000    
 O    1.942600      -3.421100     -0.6055000    
 C   -2.757800       1.769900     -0.3833000    
 C   -3.278600      0.4216000      0.1193000    
 C   -1.329600       2.028600      0.1049000    
 C   -4.730400      0.1421000     -0.2796000    
 C  -0.8215000       3.394800     -0.3663000    
 C    3.323500     -0.3819000      0.5921000    
 C   -5.275000      -1.171900      0.2848000    
 C   0.5952000       3.719200      0.1193000    
 C    3.472800       1.032000      5.9099998E-02
 C    2.113700      -1.096100      2.4499999E-02
 C   -6.747000      -1.364000     -8.3200000E-02
 C    1.629000       2.742200     -0.3658000    
 C    2.411600       2.022400      0.4528000    
 C    4.467500      -1.260500      0.1792000    
 C    2.629200      -2.458700     -0.2989000    
 C   -7.286400      -2.683000      0.4469000    
 H   -2.785700       1.788800      -1.479400    
 H   -3.417300       2.570900     -2.8200001E-02
 H   -3.200300      0.3922000       1.213400    
 H   -2.638700     -0.3823000     -0.2649000    
 H  -0.6766000       1.230600     -0.2670000    
 H   -1.300600       1.988000       1.200500    
 H   -4.806200      0.1280000      -1.373900    
 H   -5.359500      0.9702000      7.0200004E-02
 H  -0.8482000       3.434000      -1.462800    
 H   -1.499700       4.178600     -7.0000002E-03
 H    3.281700     -0.3874000       1.688300    
 H   -5.166700      -1.176400       1.376100    
 H   -4.681700      -2.008800     -0.1027000    
 H   0.5953000       3.775400       1.214800    
 H   0.8714000       4.716500     -0.2438000    
 H    3.563000       1.004700      -1.035700    
 H    4.430100       1.439700      0.4116000    
 H    1.738800     -0.6387000     -0.8964000    
 H    1.311000      -1.159900      0.7643000    
 H   -6.864300      -1.340800      -1.173000    
 H   -7.343900     -0.5403000      0.3253000    
 H    1.740500       2.631600      -1.441300    
 H    2.289800       2.156100       1.526500    
 H   -6.731600      -3.529600      3.0099999E-02
 H   -8.339700      -2.799200      0.1731000    
 H   -7.212100      -2.726800       1.538100    


%chk=000029772-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029772

0 1
O 3.758187 -2.510485 -0.476888
O 5.517453 -1.314983 0.487753
O 1.651267 -3.179132 -1.230133
C -2.725170 1.794828 -0.341752
C -3.293116 0.497589 0.276034
C -1.315076 2.149571 0.181532
C -4.702422 0.133725 -0.244590
C -0.731797 3.432552 -0.449488
C 3.192569 -0.397747 0.594119
C -5.261556 -1.169876 0.367615
C 0.692052 3.787408 0.068809
C 3.554359 1.037249 0.094088
C 1.915273 -1.001519 -0.027927
C -6.671758 -1.534747 -0.151103
C 1.739284 2.771183 -0.335109
C 2.518384 2.055581 0.518246
C 4.310582 -1.388309 0.246345
C 2.331405 -2.332063 -0.649534
C -7.219929 -2.841618 0.461367
H -2.691011 1.689695 -1.446463
H -3.418530 2.636013 -0.131558
H -3.326696 0.601534 1.381006
H -2.598718 -0.342846 0.063715
H -0.627961 1.300163 -0.013578
H -1.351986 2.270267 1.284907
H -4.670225 0.034546 -1.349881
H -5.400387 0.969612 -0.027918
H -0.702147 3.320751 -1.553313
H -1.409283 4.284828 -0.240414
H 3.122109 -0.364322 1.698085
H -5.293136 -1.073176 1.473335
H -4.565304 -2.006536 0.148854
H 0.670090 3.886101 1.172157
H 0.975764 4.780699 -0.336870
H 3.651874 1.026707 -1.008632
H 4.549451 1.292630 0.507235
H 1.489689 -0.354112 -0.815620
H 1.106484 -1.182324 0.699663
H -6.639863 -1.627755 -1.256014
H -7.368329 -0.700180 0.070261
H 1.862596 2.616474 -1.420608
H 2.400364 2.207425 1.603328
H -6.559583 -3.697315 0.225062
H -8.229285 -3.077657 0.076885
H -7.287070 -2.765229 1.563197


