%chk=000021904.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021904

0 1
 O   -1.029800      0.3592000     -0.4910000    
 O   -1.280500      -1.401200       1.044600    
 O   -2.992400       2.320700      -1.174800    
 C  -0.4307000     -0.8380000      3.1599998E-02
 C   0.9158000     -0.4784000      0.6468000    
 C   -2.370900      0.3389000      5.5999998E-03
 C    1.871000      9.3000002E-02 -0.4027000    
 C  -0.2726000      -1.854600      -1.092000    
 C   -2.233200     -0.3754000       1.328100    
 C    3.224500      0.5396000      0.1806000    
 C   -2.916900       1.746000      0.1212000    
 C   0.3585000      -3.141800     -0.5934000    
 C    2.997500       1.579500       1.280600    
 C    4.159700       1.112400     -0.8852000    
 H   0.7242000      0.2741000       1.420600    
 H    1.367200      -1.327900       1.171400    
 H   -2.963200     -0.2506000     -0.7052000    
 H    2.089700     -0.6578000      -1.169400    
 H    1.405800      0.9441000     -0.9156000    
 H   0.2698000      -1.452400      -1.953500    
 H   -1.270000      -2.103200      -1.479500    
 H   -1.816200      0.2684000       2.110600    
 H   -3.170400     -0.8118000       1.682900    
 H    3.719500     -0.3316000      0.6282000    
 H   -2.265700       2.382800      0.7288000    
 H   -3.920000       1.747100      0.5573000    
 H    1.410200      -3.008000     -0.3248000    
 H  -0.1729000      -3.558300      0.2678000    
 H   0.3284000      -3.894900      -1.388500    
 H    2.543600       1.136200       2.171900    
 H    2.359500       2.399500      0.9338000    
 H    3.950900       2.013100       1.603400    
 H    3.729100       2.004800      -1.352100    
 H    5.126500       1.388000     -0.4509000    
 H    4.344500      0.3743000      -1.672700    
 H   -2.097000       2.305300      -1.554300    


%chk=000021904-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021904

0 1
O -1.213924 0.121707 -0.720032
O -1.405981 -1.595656 0.894943
O -2.545159 2.647949 -0.914497
C -0.480532 -1.042196 -0.124035
C 0.806520 -0.529382 0.555464
C -2.430829 0.398551 0.098643
C 1.828184 0.101689 -0.416312
C -0.299863 -2.104058 -1.217157
C -2.239122 -0.472288 1.359702
C 3.077967 0.698780 0.286510
C -2.481465 1.909760 0.347424
C 0.428431 -3.377015 -0.736686
C 2.729663 1.936268 1.149448
C 4.159071 1.060357 -0.759719
H 0.507795 0.211397 1.320928
H 1.273421 -1.376793 1.093723
H -3.310599 0.080923 -0.492975
H 2.167945 -0.668570 -1.137991
H 1.328404 0.894932 -1.007941
H 0.241476 -1.640854 -2.062393
H -1.310965 -2.358820 -1.582686
H -1.730165 0.093396 2.167970
H -3.176519 -0.904781 1.741201
H 3.497300 -0.082463 0.957515
H -1.592814 2.211002 0.944092
H -3.398239 2.188178 0.896230
H 1.474107 -3.167350 -0.446508
H -0.089496 -3.816726 0.133517
H 0.450420 -4.133134 -1.541747
H 2.015689 1.694325 1.957762
H 2.279052 2.730754 0.523070
H 3.637856 2.353692 1.622506
H 3.781991 1.828723 -1.462440
H 5.067405 1.464504 -0.275170
H 4.455635 0.175952 -1.354537
H -1.809163 2.308349 -1.487624


