%chk=000168796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168796

0 1
 O   -3.386600       1.149600      -1.392400    
 O   -4.943000      0.1005000     -0.1125000    
 C    1.626500      -1.023900     -8.4100001E-02
 C    1.162700      0.4529000     -0.2980000    
 C   0.5696000      -1.967400     -0.7051000    
 C  -0.2214000      0.6886000      0.3413000    
 C    2.975900      -1.205500     -0.8193000    
 C   -1.275600     -0.2753000     -0.2350000    
 C  -0.8375000      -1.743000     -0.1447000    
 C    2.243900       1.461100      7.4000001E-02
 C    1.813600      -1.388400       1.411700    
 C    4.057400     -0.2477000     -0.3087000    
 C    3.545800       1.116900      5.1500000E-02
 C   -2.602800     -7.5999998E-02  0.4354000    
 C    1.837200       2.871800      0.3920000    
 C   -3.777600      0.3767000     -0.3519000    
 C   -2.787900     -0.2910000       1.745800    
 H    1.016000      0.6005000      -1.380500    
 H   0.8563000      -3.015000     -0.5491000    
 H   0.5368000      -1.817400      -1.792500    
 H  -0.1463000      0.6067000       1.432000    
 H  -0.5563000       1.714100      0.1373000    
 H    2.831300      -1.026600      -1.893800    
 H    3.333500      -2.238800     -0.7289000    
 H   -1.360300     -5.1899999E-02  -1.306400    
 H   -1.542100      -2.370800     -0.7061000    
 H  -0.8723000      -2.110100      0.8873000    
 H    2.527900     -0.7338000       1.919700    
 H   0.8819000      -1.328300       1.980700    
 H    2.185100      -2.414900       1.511900    
 H    4.837200     -0.1512000      -1.073000    
 H    4.541000     -0.6779000      0.5766000    
 H    4.302400       1.855200      0.3054000    
 H    1.242700       3.290300     -0.4266000    
 H    2.701700       3.529100      0.5356000    
 H    1.246700       2.904200       1.313000    
 H   -1.979700     -0.6217000       2.389700    
 H   -3.751400     -0.1392000       2.221900    
 H   -4.148800       1.458900      -1.926900    


%chk=000168796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168796

0 1
O -3.385049 0.853192 -1.661759
O -4.923022 0.810831 0.069399
C 1.657543 -1.035783 -0.089841
C 1.162519 0.440400 -0.276136
C 0.582653 -1.983129 -0.696196
C -0.208781 0.667932 0.410710
C 2.990958 -1.183272 -0.874370
C -1.280239 -0.293722 -0.188274
C -0.825110 -1.778182 -0.088449
C 2.251049 1.466036 0.077617
C 1.900098 -1.391599 1.402622
C 4.097304 -0.252806 -0.321331
C 3.570897 1.127572 0.030004
C -2.649823 -0.064154 0.452323
C 1.821448 2.886646 0.401026
C -3.763507 0.555886 -0.340688
C -2.939983 -0.374203 1.748158
H 0.967372 0.559792 -1.370323
H 0.897055 -3.038024 -0.557914
H 0.531148 -1.806539 -1.791937
H -0.131374 0.520612 1.505872
H -0.546898 1.710018 0.256511
H 2.804737 -0.935278 -1.939736
H 3.332367 -2.238202 -0.844622
H -1.363198 -0.047156 -1.263785
H -1.558074 -2.419313 -0.616653
H -0.833061 -2.105186 0.969517
H 2.570263 -0.660405 1.886794
H 0.963578 -1.417050 1.986015
H 2.366521 -2.392668 1.480231
H 4.915920 -0.159081 -1.064185
H 4.567889 -0.706271 0.577800
H 4.323832 1.895092 0.265063
H 1.204074 3.317437 -0.413035
H 2.699264 3.541794 0.543389
H 1.207899 2.934942 1.321758
H -2.194735 -0.826793 2.411833
H -3.935773 -0.176131 2.159766
H -4.164265 1.258068 -2.129875


