%chk=000097868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097868

0 1
 O    2.288300     -0.2091000      0.3475000    
 O   -2.288300     -0.2090000     -0.3475000    
 O  -0.2677000       2.070400       1.374600    
 O   0.2679000       2.070100      -1.374800    
 O    2.395400       1.855400       1.368800    
 O   -2.395400       1.855200      -1.368900    
 C    4.163400      -1.656800     -0.1743000    
 C   -4.163500      -1.656800      0.1745000    
 C    3.711800     -0.3255000      0.4324000    
 C   -3.711900     -0.3255000     -0.4324000    
 C   0.2463000      0.9143000      0.7245000    
 C  -0.2463000      0.9141000     -0.7246000    
 C    3.778600      -1.754800      -1.652100    
 C    5.670600      -1.835300     -5.5000000E-03
 C   -3.778700      -1.754700       1.652200    
 C   -5.670600      -1.835300      5.5000000E-03
 C    1.760200      0.9417000      0.8582000    
 C   -1.760200      0.9416000     -0.8583000    
 H    3.650400      -2.471500      0.3525000    
 H   -3.650400      -2.471400     -0.3523000    
 H    4.175300      0.5131000     -0.1019000    
 H    4.007800     -0.2799000       1.487500    
 H   -4.175400      0.5131000      0.1019000    
 H   -4.007800     -0.2801000      -1.487400    
 H  -0.1302000      4.6100002E-02   1.275800    
 H   0.1338000      4.1099999E-02  -1.266900    
 H    2.693500      -1.691800      -1.783600    
 H    4.238100     -0.9499000      -2.235700    
 H    4.107600      -2.709800      -2.075600    
 H    6.225600      -1.046300     -0.5243000    
 H    5.949400      -1.806100       1.053100    
 H    5.995900      -2.799800     -0.4095000    
 H   -2.693500      -1.691700       1.783700    
 H   -4.238200     -0.9497000       2.235900    
 H   -4.107700      -2.709700       2.075800    
 H   -6.225700      -1.046200      0.5241000    
 H   -5.949300      -1.806200      -1.053200    
 H   -5.996000      -2.799800      0.4095000    
 H   5.0000002E-04   2.848600      0.8562000    
 H   5.9700001E-02   1.990800      -2.321500    


%chk=000097868-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097868

0 1
O 2.334325 -0.354057 0.401772
O -2.333653 -0.400763 -0.484969
O -0.470062 1.822074 1.286835
O 0.466566 1.682180 -1.582615
O 2.250366 1.781469 1.343428
O -2.254743 1.633846 -1.628543
C 4.340572 -1.605020 -0.239112
C -4.338341 -1.598141 0.257970
C 3.833785 -0.337969 0.460240
C -3.833638 -0.386491 -0.534609
C 0.169184 0.676882 0.668634
C -0.170296 0.602071 -0.854986
C 3.969462 -1.612900 -1.739036
C 5.871758 -1.709936 -0.033414
C -3.950032 -1.503080 1.750547
C -5.872323 -1.707632 0.077349
C 1.688343 0.773868 0.851032
C -1.690104 0.678959 -1.042833
H 3.858511 -2.474652 0.251275
H -3.866698 -2.502980 -0.175573
H 4.185484 0.583569 -0.039870
H 4.128387 -0.300576 1.525203
H -4.179432 0.569954 -0.100160
H -4.136286 -0.425767 -1.597224
H -0.207253 -0.241936 1.153102
H 0.206133 -0.359487 -1.248168
H 2.879450 -1.513163 -1.880912
H 4.460586 -0.774243 -2.268907
H 4.296665 -2.554226 -2.216668
H 6.392673 -0.840256 -0.477821
H 6.140418 -1.758544 1.038439
H 6.263417 -2.619427 -0.522664
H -2.857668 -1.403195 1.873341
H -4.428366 -0.624585 2.224529
H -4.279335 -2.405080 2.297617
H -6.383390 -0.807855 0.470312
H -6.153824 -1.824250 -0.985923
H -6.262412 -2.581202 0.629319
H 0.233912 2.512435 1.436058
H -0.238844 2.353007 -1.799095


