%chk=000094568.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094568

0 1
 O   -3.581000     -0.6481000     -0.3017000    
 O   -2.685600       1.472100      2.7600000E-02
 C    3.886000     -3.2099999E-02  6.9200002E-02
 C    2.479600      0.6173000      0.1684000    
 C    1.291800     -0.3250000     -6.6000000E-02
 C    4.075000      -1.117500       1.141800    
 C    4.997300       1.020700      0.2125000    
 C    4.012900     -0.6904000      -1.318800    
 C  -3.5999998E-02  0.4411000     -6.5000001E-03
 C   -1.246400     -0.4730000     -0.1982000    
 C   -2.567300      0.2669000     -0.1513000    
 C   -4.847100     -0.1000000     -0.2364000    
 C   -5.779200     -0.4320000      0.6594000    
 H    2.373500       1.080000       1.158700    
 H    2.419600       1.440000     -0.5572000    
 H    1.361800     -0.8055000      -1.046800    
 H    1.281900      -1.116300      0.6911000    
 H    3.930100     -0.7039000       2.145900    
 H    3.373200      -1.948000       1.015500    
 H    5.085500      -1.540300       1.099300    
 H    4.939300       1.518600       1.186800    
 H    4.912300       1.791800     -0.5614000    
 H    5.991900      0.5689000      0.1264000    
 H    3.365000      -1.566100      -1.426900    
 H    5.038300      -1.040000      -1.489400    
 H    3.771800      1.7500000E-02  -2.119700    
 H  -0.1199000      0.9550000      0.9594000    
 H  -4.3499999E-02   1.222400     -0.7770000    
 H   -1.255800      -1.233000      0.5916000    
 H   -1.175000     -0.9739000      -1.170500    
 H   -5.014100      0.6329000      -1.014900    
 H   -6.755100      3.9600000E-02  0.6404000    
 H   -5.580800      -1.176600       1.422100    


%chk=000094568-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094568

0 1
O -3.654059 -0.483909 0.066373
O -2.699007 1.654633 0.203784
C 3.941568 -0.084978 -0.021021
C 2.553767 0.628720 0.048460
C 1.303008 -0.279084 0.017216
C 4.130171 -1.044951 1.183813
C 5.044088 1.007731 0.031127
C 4.087501 -0.879398 -1.346783
C -0.005567 0.540477 0.081131
C -1.255923 -0.359286 0.055453
C -2.553672 0.419650 0.118764
C -4.967304 0.057868 0.117079
C -6.035261 -0.765491 0.064965
H 2.523595 1.238796 0.976331
H 2.490588 1.347049 -0.796444
H 1.303407 -0.892215 -0.906414
H 1.330425 -0.988269 0.868968
H 4.004464 -0.507326 2.143158
H 3.404392 -1.878372 1.161438
H 5.144808 -1.486168 1.173213
H 4.977109 1.595843 0.966357
H 4.949398 1.710386 -0.818751
H 6.052542 0.554664 -0.013652
H 3.365667 -1.714435 -1.408223
H 5.103003 -1.310828 -1.430622
H 3.925566 -0.222149 -2.222612
H -0.016749 1.160333 0.998287
H -0.045684 1.250641 -0.767213
H -1.247860 -1.074841 0.901523
H -1.277996 -0.985161 -0.858479
H -5.008573 1.149825 0.197870
H -7.043676 -0.346111 0.105335
H -5.923737 -1.850541 -0.017034


