%chk=000070828.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070828

0 1
 O    2.867600       1.255600       1.649800    
 O    4.038300      0.6959000     -0.8084000    
 C   -1.105900      -1.287000      0.3959000    
 C   -2.440900       1.044900     -0.1877000    
 C   -2.131100     -0.1548000      0.7673000    
 C   0.3003000     -0.7441000      7.0400000E-02
 C  -0.9514000      -2.188000       1.655600    
 C   -1.688000      -2.204300     -0.7002000    
 C   -3.413600       1.986300      0.5650000    
 C   -3.167900      0.5871000      -1.467200    
 C   -1.206200       1.866800     -0.5764000    
 C   0.9378000      1.1000000E-02   1.019600    
 C   0.8417000      -1.042900      -1.152300    
 C    2.209200      0.5028000      0.7247000    
 C    2.113100     -0.5511000      -1.447300    
 C    2.796900      0.2218000     -0.5087000    
 H   -3.087700     -0.6438000       1.006300    
 H   -1.806800      0.2858000       1.721800    
 H  -0.6457000      -1.628300       2.546200    
 H  -0.2075000      -2.977700       1.492500    
 H   -1.901300      -2.677300       1.903400    
 H   -1.080400      -3.108800     -0.8321000    
 H   -2.695000      -2.543200     -0.4276000    
 H   -1.769500      -1.725900      -1.676800    
 H   -2.957300       2.372000       1.483800    
 H   -4.335700       1.462900      0.8428000    
 H   -3.695100       2.849200     -4.9699999E-02
 H   -3.962200     -0.1326000      -1.242600    
 H   -3.631200       1.437700      -1.981600    
 H   -2.479100      0.1383000      -2.186800    
 H   -1.507600       2.790900      -1.085900    
 H  -0.6312000       2.170700      0.3032000    
 H  -0.5580000       1.343700      -1.281000    
 H   0.4934000      0.2453000       1.981000    
 H   0.3586000      -1.637700      -1.916100    
 H    2.560100     -0.7774000      -2.411700    
 H    3.730300       1.510400       1.278800    
 H    4.282100      0.4022000      -1.703100    


%chk=000070828-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070828

0 1
O 2.936210 1.229201 1.903958
O 4.336853 0.727715 -0.353492
C -1.088769 -1.251711 0.283580
C -2.608488 1.006230 -0.224870
C -2.075584 -0.112977 0.740243
C 0.347736 -0.721711 0.039375
C -1.011857 -2.263204 1.476223
C -1.635239 -2.034872 -0.937422
C -3.186441 2.127981 0.689030
C -3.771332 0.495542 -1.123084
C -1.501252 1.629271 -1.114347
C 1.003001 0.027413 1.055828
C 1.071760 -1.000190 -1.147158
C 2.317901 0.489100 0.887374
C 2.399728 -0.541580 -1.327573
C 3.019923 0.204052 -0.313209
H -2.969188 -0.619470 1.164863
H -1.594388 0.401443 1.596512
H -0.693411 -1.764729 2.409532
H -0.286295 -3.068247 1.258733
H -2.001581 -2.724299 1.655650
H -1.035369 -2.945962 -1.121789
H -2.675229 -2.353317 -0.743420
H -1.634008 -1.433564 -1.862979
H -2.389800 2.589554 1.302569
H -3.956989 1.727167 1.375611
H -3.654109 2.925903 0.081596
H -4.582218 0.059903 -0.507789
H -4.201296 1.336354 -1.700721
H -3.444389 -0.270414 -1.845474
H -1.915815 2.480606 -1.688126
H -0.658225 2.003257 -0.505771
H -1.089225 0.902480 -1.836276
H 0.505585 0.268355 2.000505
H 0.611444 -1.577511 -1.952712
H 2.937635 -0.768288 -2.257228
H 3.855182 1.465381 1.609542
H 4.790640 0.511539 -1.202381


