%chk=000096331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096331

0 1
 O   -1.745600     -0.1153000      0.1117000    
 O    4.441700      0.5046000      0.2228000    
 O   -1.231400      -2.255900     -0.5615000    
 C   -3.950100      0.8243000      0.4358000    
 C   -3.134600     -0.4097000      4.0199999E-02
 C   -3.677100       1.998500     -0.5066000    
 C   -5.441100      0.4940000      0.4539000    
 C   0.5144000     -0.6986000     -0.1007000    
 C  -0.9011000      -1.131800     -0.2166000    
 C    1.473600      -1.634200      0.2283000    
 C   0.8266000      0.6267000     -0.3255000    
 C    3.144700      0.1072000      0.1150000    
 C    2.803200      -1.226900      0.3375000    
 C    2.156200       1.034000     -0.2164000    
 C    4.720800       1.883100     -1.7800000E-02
 H   -3.645600       1.135100       1.443300    
 H   -3.359700      -1.235900      0.7257000    
 H   -3.389200     -0.7212000     -0.9806000    
 H   -4.268300       2.873600     -0.2165000    
 H   -3.933500       1.744800      -1.540900    
 H   -2.622100       2.289900     -0.4807000    
 H   -6.028500       1.363900      0.7664000    
 H   -5.650600     -0.3196000       1.156300    
 H   -5.792800      0.1861000     -0.5367000    
 H    1.219700      -2.674800      0.4072000    
 H   7.7299997E-02   1.364100     -0.5979000    
 H    3.568600      -1.953100      0.5971000    
 H    2.352000       2.084100     -0.4050000    
 H    4.225600       2.528000      0.7160000    
 H    4.482700       2.167800      -1.048300    
 H    5.799200       2.021800      0.1109000    


%chk=000096331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096331

0 1
O -1.811890 -0.016159 0.187391
O 4.595785 0.436570 -0.059283
O -1.282265 -2.273595 -0.060110
C -4.072530 0.901435 0.308500
C -3.252821 -0.393166 0.222592
C -3.869696 1.784878 -0.943221
C -5.564234 0.542357 0.512574
C 0.504196 -0.614625 0.023306
C -0.907462 -1.076497 0.041288
C 1.530196 -1.588635 -0.131011
C 0.861114 0.750540 0.154086
C 3.225587 0.163808 -0.023224
C 2.878464 -1.207487 -0.155005
C 2.213368 1.147243 0.132369
C 5.021124 1.833570 0.076500
H -3.719713 1.461875 1.197883
H -3.419992 -1.047592 1.098528
H -3.490012 -0.971592 -0.690968
H -4.424418 2.736350 -0.847269
H -4.238383 1.267528 -1.850216
H -2.801406 2.018512 -1.093592
H -6.175141 1.458677 0.600921
H -5.718458 -0.058552 1.428402
H -5.952756 -0.038342 -0.346131
H 1.241952 -2.640085 -0.230581
H 0.071129 1.497095 0.274602
H 3.680450 -1.941913 -0.273060
H 2.465753 2.206453 0.236401
H 4.708527 2.254533 1.051428
H 4.619794 2.456810 -0.745635
H 6.118739 1.804606 0.018934


