%chk=000104485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104485

0 1
 O  -0.8175000     -0.2201000      0.3153000    
 O   -2.495500      -1.539600     -0.5598000    
 C    3.893300     -0.2710000      0.2572000    
 C    4.350200      0.9813000     -0.4914000    
 C   -2.972800      0.7159000      0.2148000    
 C   -4.421000      0.4914000     -0.2128000    
 C    2.542100     -0.7242000     -0.2142000    
 C   0.1224000      -1.265600      0.1103000    
 C    5.730600       1.428300     -3.5999998E-02
 C    1.463500     -0.8041000      0.5787000    
 C   -2.105900     -0.4899000     -6.7100003E-02
 C   -5.289500       1.697600      0.1051000    
 H    4.608800      -1.085000      9.0000004E-02
 H    3.883800     -7.2899997E-02   1.336000    
 H    3.636400       1.797800     -0.3278000    
 H    4.375600      0.7877000      -1.570700    
 H   -2.931100      0.9199000       1.290700    
 H   -2.556000       1.571900     -0.3275000    
 H   -4.465100      0.2852000      -1.289000    
 H   -4.829300     -0.3906000      0.2951000    
 H    2.459200      -1.010000      -1.260000    
 H   0.1429000      -1.537400     -0.9517000    
 H  -0.1742000      -2.144400      0.6943000    
 H    6.038500       2.324700     -0.5834000    
 H    5.733500       1.665300       1.032700    
 H    6.475600      0.6470000     -0.2173000    
 H    1.547700     -0.5257000       1.626200    
 H   -6.321600       1.515400     -0.2105000    
 H   -5.294600       1.905100       1.179900    
 H   -4.927500       2.589700     -0.4158000    


%chk=000104485-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104485

0 1
O -0.948762 -0.531655 -1.090236
O -1.833484 -1.163684 0.974711
C 3.662046 -0.307425 0.267679
C 4.186838 1.077058 -0.204400
C -2.848958 0.702586 -0.303505
C -4.121194 0.610955 0.564454
C 2.494241 -0.798456 -0.557864
C 0.125078 -1.584242 -0.932118
C 5.417050 1.545407 0.601771
C 1.258654 -1.093235 -0.073945
C -1.863222 -0.424648 -0.037565
C -5.051940 1.822921 0.352125
H 4.498749 -1.035141 0.200217
H 3.373850 -0.250893 1.335356
H 3.371097 1.820595 -0.116569
H 4.445412 1.020763 -1.281149
H -2.319962 1.657029 -0.101859
H -3.092507 0.714900 -1.381773
H -4.660054 -0.325824 0.325729
H -3.827677 0.532658 1.627265
H 2.680785 -0.910102 -1.639376
H 0.444200 -1.777568 -1.968329
H -0.355309 -2.478582 -0.495493
H 5.772102 2.533470 0.256262
H 5.177334 1.630035 1.678402
H 6.254961 0.829879 0.499873
H 1.042480 -0.985106 0.997527
H -5.962223 1.737546 0.972741
H -4.545783 2.768284 0.625404
H -5.371302 1.906176 -0.704035


