%chk=000112970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112970

0 1
 O   -2.280800       2.754500       1.199600    
 C    1.995900     -0.1134000       1.068600    
 C    2.274600      -1.622200       1.072200    
 C    2.447200      0.5886000     -0.2145000    
 C    1.532500      -2.440400      9.3999999E-03
 C    2.247000       2.106300     -0.1759000    
 C   -2.813700     -0.4102000     -0.7573000    
 C   -2.275700      -1.840100     -0.6386000    
 C   3.9999999E-02  -2.384700      0.1584000    
 C   -2.292200      0.5203000      0.3385000    
 C  -0.7842000      -1.915300     -0.7900000    
 C    2.722200       2.816400      -1.434000    
 C   -2.812900       1.940200      0.1636000    
 H    2.529400      0.3311000       1.918300    
 H   0.9315000      7.5000003E-02   1.243500    
 H    3.352500      -1.784100      0.9455000    
 H    2.021200      -2.015100       2.065500    
 H    1.893800      0.1876000      -1.071200    
 H    3.508000      0.3716000     -0.3906000    
 H    1.842600      -2.122900     -0.9926000    
 H    1.839700      -3.489400      0.1030000    
 H    1.183500       2.326800     -2.4300000E-02
 H    2.783300       2.521100      0.6859000    
 H   -2.550200     -2.0000001E-03  -1.741400    
 H   -3.909300     -0.4432000     -0.7129000    
 H   -2.594300      -2.269200      0.3193000    
 H   -2.730900      -2.455400      -1.424000    
 H  -0.3736000      -2.745600       1.096800    
 H   -1.197400      0.5499000      0.3308000    
 H   -2.577800      0.1415000       1.327500    
 H  -0.3694000      -1.559100      -1.729800    
 H    2.553800       3.894400      -1.349300    
 H    2.181000       2.454200      -2.313700    
 H    3.791800       2.649400      -1.595700    
 H   -3.904500       1.969500      0.2331000    
 H   -2.514400       2.363200     -0.8008000    
 H   -1.312400       2.749000       1.109800    


%chk=000112970-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112970

0 1
O -1.864290 3.182777 0.417458
C 2.173984 -0.343309 1.186060
C 2.504408 -1.839274 0.962606
C 2.300152 0.542891 -0.073498
C 1.612369 -2.554116 -0.094701
C 2.059997 2.040932 0.226923
C -2.790543 -0.395527 -0.767763
C -2.283915 -1.824872 -0.421691
C 0.129928 -2.422340 0.192047
C -2.117516 0.710335 0.076349
C -0.803828 -1.996971 -0.698860
C 2.061413 2.925359 -1.039013
C -2.535829 2.125847 -0.358835
H 2.842312 0.054895 1.977451
H 1.139602 -0.255524 1.577763
H 3.565468 -1.943660 0.656700
H 2.403364 -2.372455 1.930348
H 1.569926 0.206773 -0.837314
H 3.307237 0.416743 -0.523703
H 1.828020 -2.161208 -1.107022
H 1.897675 -3.627314 -0.108699
H 1.091486 2.145735 0.762642
H 2.833700 2.401016 0.934790
H -2.602928 -0.201475 -1.845278
H -3.889699 -0.354853 -0.628748
H -2.495352 -2.050811 0.642191
H -2.865017 -2.553357 -1.025275
H -0.191825 -2.686080 1.213432
H -1.015895 0.609239 -0.012971
H -2.362500 0.574101 1.147875
H -0.476250 -1.732389 -1.719040
H 1.900994 3.991653 -0.794144
H 1.266394 2.614278 -1.743996
H 3.026488 2.844853 -1.573354
H -3.610491 2.295124 -0.173091
H -2.347970 2.259648 -1.447559
H -0.883266 3.071635 0.322617


