%chk=000088829.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088829

0 1
 O    2.331300      -1.609500      0.2570000    
 O  -0.2490000      -2.510300     -0.2559000    
 O    2.741200       1.140000     -6.0100000E-02
 O   -2.305500     -0.6586000      0.1933000    
 O    1.851600       3.364300      -1.505600    
 O   -4.092900      0.2329000     -0.9508000    
 C    2.109100      -2.914900     -0.2627000    
 C   0.7524000      -3.408100      0.2019000    
 C    3.592500      -1.095800     -0.1481000    
 C    3.771300      0.2929000      0.4345000    
 C   -1.549000      -2.936700      0.1336000    
 C   -2.571200      -1.942300     -0.3820000    
 C    2.846700       2.453100      0.4720000    
 C    1.725700       3.306100     -8.9900002E-02
 C   -3.149000      0.3417000     -0.1808000    
 C   -2.749800       1.608900      0.4926000    
 C   -1.574000       1.634300       1.420400    
 C   -3.481600       2.701900      0.2309000    
 H    2.893700      -3.595600      8.5600004E-02
 H    2.128800      -2.867800      -1.357800    
 H   0.5660000      -4.412900     -0.1930000    
 H   0.7261000      -3.438200       1.297300    
 H    3.620300      -1.043600      -1.242700    
 H    4.394300      -1.753700      0.2046000    
 H    4.750800      0.6935000      0.1511000    
 H    3.699500      0.2468000       1.527500    
 H   -1.754700      -3.930400     -0.2793000    
 H   -1.594800      -2.980300       1.227900    
 H   -2.491600      -1.859400      -1.472200    
 H   -3.580700      -2.266600     -0.1069000    
 H    2.775700       2.420200       1.564700    
 H    3.815300       2.877000      0.1829000    
 H    1.773500       4.322600      0.3112000    
 H   0.7515000       2.869900      0.1379000    
 H    1.121200       3.915900      -1.834000    
 H   -1.777300       1.025300       2.307400    
 H  -0.6817000       1.237200      0.9265000    
 H   -1.340900       2.649100       1.760200    
 H   -3.241100       3.655300      0.6911000    
 H   -4.334000       2.689500     -0.4401000    


%chk=000088829-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088829

0 1
O 1.657537 -1.010742 0.565264
O -0.095464 -2.926880 -0.981628
O 1.940416 1.250457 -1.331631
O -1.475564 -0.520157 0.680095
O 1.995221 2.205371 -3.976276
O -0.931106 1.743349 0.621379
C 1.798813 -2.468180 0.516278
C 0.405382 -3.084640 0.394653
C 2.896360 -0.282827 0.277997
C 2.531531 1.170222 0.007980
C -1.295862 -2.104879 -1.159518
C -1.146048 -0.631464 -0.776436
C 1.356363 2.578542 -1.618646
C 0.881517 2.503666 -3.068761
C -1.294347 0.726123 1.268434
C -1.597775 0.685429 2.739895
C -1.950084 -0.642045 3.377609
C -1.533713 1.861287 3.423218
H 2.303149 -2.839157 1.437926
H 2.403152 -2.770788 -0.365697
H 0.475450 -4.172464 0.593351
H -0.280044 -2.622398 1.128952
H 3.400813 -0.711942 -0.614519
H 3.592229 -0.344578 1.144304
H 3.442942 1.806747 0.060498
H 1.803756 1.521803 0.767836
H -1.494247 -2.175335 -2.243563
H -2.160820 -2.539731 -0.614101
H -0.117115 -0.265272 -0.937336
H -1.864275 0.001120 -1.332344
H 0.516959 2.775132 -0.923406
H 2.139753 3.359237 -1.508113
H 0.474366 3.476074 -3.392810
H 0.085635 1.733384 -3.154863
H 2.484662 1.444184 -3.567105
H -2.840253 -1.088992 2.900040
H -1.125829 -1.367882 3.252257
H -2.149901 -0.518553 4.455503
H -1.740755 1.909533 4.497712
H -1.273104 2.790945 2.905770


