%chk=000093939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093939

0 1
 O    4.466500       1.973600       1.266200    
 O    4.503800      0.5392000      -1.807200    
 C   -4.145400      0.1455000      6.4900003E-02
 C   -5.581300      0.2293000     -0.4575000    
 C   -3.186600       1.112800     -0.6366000    
 C   -6.501200     -0.7391000      0.2915000    
 C   -1.766100       1.081100     -6.2300000E-02
 C   -7.944500     -0.6274000     -0.2049000    
 C  -0.8116000       2.044800     -0.7779000    
 C   -8.901800      -1.597300      0.4910000    
 C   0.5958000       2.020500     -0.2367000    
 C    1.535100       1.139900     -0.7732000    
 C   -10.34970      -1.440900      5.2299999E-02
 C   0.9582000       2.879700      0.8008000    
 C    2.836800       1.118300     -0.2722000    
 C    2.259600       2.858100       1.301800    
 C    3.199000       1.977500      0.7653000    
 C    3.802600      0.1919000     -0.8465000    
 C    3.993700      -1.191700     -0.3191000    
 C    3.231800      -1.637900      0.7610000    
 C    4.933700      -2.038700     -0.9064000    
 C    3.410000      -2.930700       1.253600    
 C    5.111800      -3.331400     -0.4138000    
 C    4.349900      -3.777400      0.6662000    
 H   -4.141800      0.3587000       1.141200    
 H   -3.772800     -0.8792000     -5.6100000E-02
 H   -5.595700     -3.9999999E-04  -1.529700    
 H   -5.952500       1.254700     -0.3405000    
 H   -3.581500       2.133100     -0.5551000    
 H   -3.151200      0.8706000      -1.705800    
 H   -6.467900     -0.5255000       1.366600    
 H   -6.144100      -1.766800      0.1539000    
 H   -1.802400       1.328600       1.006200    
 H   -1.372700      5.8899999E-02 -0.1313000    
 H   -7.973500     -0.8119000      -1.286000    
 H   -8.298900      0.3993000     -4.9899999E-02
 H   -1.204500       3.068000     -0.7124000    
 H  -0.7876000       1.810200      -1.850200    
 H   -8.845700      -1.446600       1.575700    
 H   -8.579800      -2.627100      0.2964000    
 H    1.251900      0.4689000      -1.581200    
 H   -10.71710     -0.4333000      0.2707000    
 H   -10.98660      -2.158100      0.5793000    
 H   -10.45240      -1.618500      -1.022900    
 H   0.2347000       3.568900       1.228100    
 H    2.535300       3.530000       2.110000    
 H    5.019700       1.334600      0.7888000    
 H    2.490600      -1.009500       1.245300    
 H    5.540200      -1.716500      -1.748600    
 H    2.817000      -3.278400       2.094500    
 H    5.843600      -3.991100     -0.8708000    
 H    4.488600      -4.783900       1.049700    


%chk=000093939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093939

0 1
O 4.378250 2.824433 1.600524
O 5.321574 0.635297 0.805076
C -4.139739 0.271355 0.278024
C -5.501322 0.016719 -0.407276
C -3.047463 0.767280 -0.696326
C -6.592917 -0.481585 0.566766
C -1.692157 1.033587 -0.005353
C -7.956675 -0.731308 -0.115886
C -0.593719 1.518993 -0.992232
C -9.048053 -1.228331 0.859682
C 0.726709 1.824327 -0.302212
C 1.793649 0.910235 -0.310960
C -10.407808 -1.474178 0.170606
C 0.904437 3.053953 0.404650
C 3.028390 1.173470 0.361224
C 2.110578 3.370943 1.044339
C 3.193316 2.454969 1.011055
C 4.158114 0.230039 0.386593
C 4.038402 -1.202579 -0.028637
C 2.895856 -1.994506 0.268711
C 5.158499 -1.810853 -0.657304
C 2.870067 -3.362836 -0.077668
C 5.122353 -3.172093 -1.019595
C 3.976174 -3.952254 -0.732676
H -4.272891 1.016930 1.089681
H -3.796099 -0.663154 0.768952
H -5.368945 -0.727079 -1.220883
H -5.846096 0.952362 -0.895461
H -3.394226 1.697752 -1.193254
H -2.908089 0.018142 -1.503956
H -6.722882 0.260814 1.382070
H -6.249812 -1.419006 1.052920
H -1.825713 1.792227 0.792730
H -1.341200 0.111048 0.500256
H -7.829309 -1.474494 -0.930946
H -8.301442 0.205630 -0.601784
H -0.966761 2.423145 -1.514230
H -0.445003 0.743902 -1.769257
H -9.174048 -0.485182 1.673659
H -8.703421 -2.164382 1.345090
H 1.690380 -0.020416 -0.878723
H -10.787131 -0.546922 -0.299181
H -11.170352 -1.824316 0.890636
H -10.317188 -2.238716 -0.624106
H 0.082610 3.780876 0.423340
H 2.259407 4.325913 1.556230
H 5.056367 2.063857 1.399266
H 2.051252 -1.555261 0.809109
H 6.047757 -1.200938 -0.846040
H 1.992854 -3.969750 0.171699
H 5.985651 -3.627716 -1.516451
H 3.950814 -5.012943 -1.006291


