%chk=000105686.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105686

0 1
 O    1.868700      -1.530600      0.7389000    
 O    2.326100       1.192000      0.4183000    
 O   -2.818500     -0.7940000      0.3754000    
 O   -2.272300       3.216500     -0.1062000    
 C   0.8273000     -0.6694000      0.5689000    
 C    1.056800      0.6970000      0.4077000    
 C   -1.551800     -0.2915000      0.3844000    
 C   -1.322200       1.074900      0.2232000    
 C  -0.4769000      -1.163600      0.5572000    
 C  -1.7999999E-02   1.569100      0.2349000    
 C    2.019000      -2.565600     -0.2310000    
 C    2.764800       1.875500     -0.7541000    
 C   -3.126300      -1.756400     -0.6309000    
 C   -2.430000       2.002300      4.0199999E-02
 C    3.488000      -2.905800     -0.3655000    
 C    4.263500       1.709700     -0.8897000    
 C   -4.598100      -1.660100     -0.9716000    
 H  -0.6559000      -2.226300      0.7001000    
 H   0.1709000       2.633600      0.1192000    
 H    1.461100      -3.447500      0.1016000    
 H    1.631800      -2.249700      -1.207800    
 H    2.275300       1.473500      -1.650000    
 H    2.515200       2.938000     -0.6613000    
 H   -2.534200      -1.580700      -1.537700    
 H   -2.898200      -2.757100     -0.2482000    
 H   -3.448300       1.579900      3.5399999E-02
 H    3.638800      -3.707200      -1.094000    
 H    4.059100      -2.027200     -0.6832000    
 H    3.900700      -3.222000      0.5983000    
 H    4.636500       2.233000      -1.774500    
 H    4.776600       2.101000     -5.1000002E-03
 H    4.528100      0.6500000     -0.9681000    
 H   -4.872000      -2.394800      -1.734000    
 H   -5.212200      -1.829300     -8.1000000E-02
 H   -4.843000     -0.6590000      -1.341400    


%chk=000105686-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105686

0 1
O 2.016719 -1.547563 -0.336667
O 2.597503 1.035927 -0.316065
O -2.832068 -0.525520 -0.323953
O -2.020964 3.493229 -0.297562
C 0.922778 -0.688029 -0.329224
C 1.235714 0.714697 -0.318346
C -1.475598 -0.169091 -0.323691
C -1.179960 1.223971 -0.313379
C -0.424053 -1.119322 -0.331843
C 0.182151 1.637600 -0.310956
C 1.762763 -3.004502 -0.346720
C 2.940986 2.473366 -0.301067
C -3.185383 -1.958889 -0.344279
C -2.244311 2.244119 -0.305147
C 3.128045 -3.685134 -0.350300
C 4.464208 2.560844 -0.296921
C -4.709525 -2.037182 -0.349329
H -0.645568 -2.187676 -0.340841
H 0.354277 2.718430 -0.303266
H 1.175225 -3.279572 0.553483
H 1.176844 -3.267736 -1.251544
H 2.508309 2.963981 -1.197252
H 2.504625 2.945965 0.602962
H -2.754989 -2.430688 -1.251775
H -2.760084 -2.454837 0.552689
H -3.285275 1.852361 -0.307521
H 3.003638 -4.783299 -0.359135
H 3.707136 -3.389544 -1.241195
H 3.705032 -3.403614 0.546518
H 4.781514 3.619448 -0.286882
H 4.880247 2.060593 0.593996
H 4.884342 2.076398 -1.194626
H -5.033708 -3.093617 -0.363759
H -5.127397 -1.555022 0.550507
H -5.122771 -1.531891 -1.238510


