%chk=000047293.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047293

0 1
 O    4.877000      0.8630000      9.7999997E-02
 O   -5.864900      3.7099998E-02  0.1173000    
 C    2.704400     -0.1992000     -0.4634000    
 C    1.965200      -1.377400      0.2074000    
 C   0.4241000      -1.342700      0.1612000    
 C  -0.1732000      5.5199999E-02  0.4860000    
 C    2.033100       1.153300     -0.1435000    
 C   0.5059000       1.168500     -0.3694000    
 C    4.106900     -0.3228000      0.1819000    
 C    2.492000      -1.381500       1.659800    
 C    3.846700     -0.6809000       1.639700    
 C  -0.1197000      -1.850700      -1.185200    
 C    2.847600     -0.3620000      -1.986800    
 C   -1.694400      1.9300001E-02  0.3724000    
 C   2.0000001E-03   2.586100     -6.3900001E-02
 C   -1.630400      -2.043000      -1.127500    
 C   -2.361000     -0.9266000     -0.4292000    
 C   -2.465500      0.9323000       1.115100    
 C   0.6336000       3.600900     -0.9923000    
 C   -3.764600     -0.9056000     -0.5089000    
 C   -3.857500      0.9453000       1.025700    
 C   -4.507300      3.1399999E-02  0.2056000    
 H    2.306900      -2.318600     -0.2476000    
 H   6.5499999E-02  -2.049100      0.9260000    
 H   5.2400000E-02  0.2633000       1.541400    
 H    2.528500       1.913800     -0.7561000    
 H    2.228100       1.435100      0.8997000    
 H   0.2949000      0.9763000      -1.428100    
 H    4.680000      -1.134700     -0.2845000    
 H    2.585200      -2.409100       2.029000    
 H    1.822500     -0.8581000       2.350200    
 H    3.831000      0.2100000       2.278600    
 H    4.638900      -1.328800       2.030700    
 H   0.3489000      -2.804000      -1.457200    
 H   0.1045000      -1.152400      -1.994400    
 H    3.225900      -1.357200      -2.246000    
 H    1.905900     -0.2183000      -2.518500    
 H    3.551500      0.3715000      -2.395900    
 H   0.1862000       2.860700      0.9809000    
 H   -1.075800       2.646400     -0.2376000    
 H   -1.847500      -2.974300     -0.5886000    
 H   -2.012600      -2.158600      -2.148900    
 H    5.023000       1.055500     -0.8433000    
 H   -1.982100       1.646600       1.777800    
 H    1.664800       3.834400     -0.7123000    
 H   0.6136000       3.271200      -2.035900    
 H   7.9800002E-02   4.544900     -0.9353000    
 H   -4.275400      -1.644200      -1.123600    
 H   -4.426400       1.668900       1.603000    
 H   -6.144700     -0.6663000     -0.4935000    


%chk=000047293-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047293

0 1
O 4.967544 0.882709 0.214876
O -5.936024 0.114638 0.260478
C 2.752126 -0.221794 -0.462426
C 1.980633 -1.413020 0.200712
C 0.433337 -1.361591 0.104441
C -0.149372 0.042410 0.459683
C 2.065578 1.131449 -0.129856
C 0.539110 1.159936 -0.411683
C 4.140481 -0.332087 0.257793
C 2.493654 -1.462583 1.683635
C 3.828318 -0.661049 1.728700
C -0.127330 -1.833379 -1.261643
C 2.946725 -0.371556 -1.990280
C -1.679493 0.012813 0.383779
C -0.038559 2.579509 -0.168485
C -1.654144 -2.033813 -1.186565
C -2.378780 -0.922987 -0.430563
C -2.447309 0.915851 1.170284
C 0.531645 3.664983 -1.109570
C -3.796044 -0.888366 -0.483913
C -3.852454 0.946158 1.131659
C -4.528425 0.042752 0.281277
H 2.312192 -2.346493 -0.303866
H 0.046278 -2.077672 0.863983
H 0.123582 0.276389 1.512044
H 2.573837 1.930454 -0.700524
H 2.220930 1.380378 0.939450
H 0.359904 0.922989 -1.481902
H 4.697643 -1.174830 -0.213849
H 2.632970 -2.510929 2.003574
H 1.748278 -1.021089 2.370349
H 3.716244 0.289385 2.280232
H 4.652624 -1.217509 2.206013
H 0.356309 -2.784754 -1.557546
H 0.110104 -1.099449 -2.052687
H 3.331389 -1.377139 -2.247280
H 2.012916 -0.215233 -2.556227
H 3.675971 0.375889 -2.366477
H 0.144600 2.875053 0.886717
H -1.135414 2.548139 -0.299635
H -1.863747 -2.991916 -0.665322
H -2.079988 -2.140399 -2.203653
H 5.221610 1.066403 -0.725155
H -1.925605 1.609005 1.840483
H 1.606047 3.851402 -0.933451
H 0.407835 3.372761 -2.170179
H 0.002262 4.624547 -0.963184
H -4.324478 -1.613787 -1.119844
H -4.431828 1.645528 1.740964
H -6.310186 -0.563206 -0.355364


