%chk=000031362.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031362

0 1
 O   -2.230100      0.7995000      -1.796700    
 O    2.702300     -0.7945000      -1.417100    
 C   -2.587600      0.7312000      0.6164000    
 C    2.693700     -0.8411000      0.9623000    
 C   -1.614400       1.062500     -0.5383000    
 C    1.874000      -1.168800     -0.3058000    
 C   -3.123300     -0.7197000      0.6990000    
 C    3.298100      0.5743000       1.103000    
 C   -1.267300       2.556400     -0.5091000    
 C    1.566900      -2.660500     -0.4437000    
 C   -3.821100      -1.075900     -0.6191000    
 C   -4.088000     -0.9521000       1.861300    
 C    4.170900      0.9948000     -7.8299999E-02
 C    2.164400       1.592400       1.279900    
 C  -0.3746000      0.2741000     -0.4378000    
 C   0.6360000     -0.3725000     -0.3759000    
 H   -2.104600      0.9684000       1.574400    
 H   -3.457900       1.397900      0.5367000    
 H    2.089200      -1.062300       1.852800    
 H    3.543400      -1.538100      0.9990000    
 H   -2.278000      -1.405000      0.8371000    
 H    3.912500      0.5776000       2.012300    
 H  -0.7979000       2.846800      0.4374000    
 H   -2.165700       3.167700     -0.6527000    
 H  -0.5793000       2.820300      -1.321800    
 H   0.9285000      -3.015500      0.3727000    
 H    2.487500      -3.255000     -0.4459000    
 H    1.057100      -2.871200      -1.391600    
 H   -4.496600     -0.2828000     -0.9565000    
 H   -3.101500      -1.311400      -1.408000    
 H   -4.424300      -1.983800     -0.4981000    
 H   -4.981500     -0.3260000       1.765000    
 H   -4.407100      -1.998700       1.905700    
 H   -3.606100     -0.7084000       2.813900    
 H    4.879900      0.2072000     -0.3527000    
 H    4.765600       1.871100      0.2073000    
 H    3.596600       1.299000     -0.9580000    
 H    1.391700       1.234500       1.967600    
 H    1.711600       1.892900      0.3324000    
 H    2.574700       2.511200       1.716600    
 H   -1.615400       1.066800      -2.501600    
 H    3.466100      -1.396400      -1.439400    


%chk=000031362-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031362

0 1
O -2.457942 0.733236 -2.051278
O 2.689611 -0.529289 -1.641040
C -2.744991 0.820323 0.366424
C 2.571200 -0.938220 0.853633
C -1.749516 1.115550 -0.791004
C 1.835987 -1.038632 -0.523355
C -3.014392 -0.666524 0.720289
C 3.208050 0.404720 1.321816
C -1.426556 2.632455 -0.847129
C 1.492385 -2.528516 -0.812445
C -3.907425 -1.380434 -0.322447
C -3.652754 -0.755402 2.128561
C 4.427899 0.847880 0.475153
C 2.197189 1.567322 1.465763
C -0.491227 0.341825 -0.667804
C 0.590414 -0.244937 -0.582382
H -2.348613 1.331971 1.266047
H -3.698302 1.318911 0.099197
H 1.846158 -1.266505 1.625771
H 3.374821 -1.706654 0.837799
H -2.034174 -1.186512 0.752388
H 3.589802 0.179344 2.342158
H -0.908211 2.961970 0.071034
H -2.367306 3.200476 -0.953849
H -0.773191 2.862372 -1.708317
H 0.809822 -2.938371 -0.047125
H 2.416196 -3.138222 -0.817188
H 1.007042 -2.611391 -1.798665
H -4.913452 -0.917566 -0.350463
H -3.476626 -1.301554 -1.333119
H -4.033166 -2.448717 -0.061965
H -4.611037 -0.200813 2.158525
H -3.866628 -1.806064 2.399800
H -2.989575 -0.329209 2.905395
H 5.164591 0.027536 0.364968
H 4.945124 1.694129 0.965437
H 4.110875 1.170589 -0.530705
H 1.313404 1.265529 2.058018
H 1.841211 1.910047 0.479255
H 2.675690 2.425347 1.974558
H -1.815504 0.830375 -2.801801
H 3.561516 -1.001476 -1.585207


