%chk=000070852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070852

0 1
 O  -0.6884000     -0.4029000       2.416400    
 O   -2.095300       2.774500     -0.8529000    
 O   -1.258100       2.216000       1.185100    
 C    3.457500     -0.3672000     -0.3524000    
 C   0.8604000     -0.4362000      0.6641000    
 C    4.846200     -0.3285000     -0.8951000    
 C   -1.695200     -0.5883000      0.3134000    
 C  -0.4937000     -0.4710000       1.193800    
 C    2.371500     -0.4791000      -1.220600    
 C    3.245000     -0.2898000       1.023900    
 C    1.072900     -0.5136000     -0.7124000    
 C    1.946400     -0.3243000       1.532200    
 C   -2.308000      0.5456000     -0.1682000    
 C   -2.142300      -1.857400      1.8500000E-02
 C    5.309400       1.095500      -1.196200    
 C   -3.427600      0.4048000     -0.9881000    
 C   -3.261800      -1.998300     -0.8015000    
 C   -3.904500     -0.8672000      -1.304800    
 C   -1.834400       1.887600      0.1448000    
 H    5.539900     -0.7945000     -0.1842000    
 H    4.908400     -0.9325000      -1.809000    
 H    2.524200     -0.5379000      -2.295100    
 H    4.082700     -0.2001000       1.710600    
 H   0.2573000     -0.6002000      -1.423600    
 H    1.808000     -0.2613000       2.608300    
 H   -1.646400      -2.741500      0.4079000    
 H    4.661400       1.574100      -1.938300    
 H    6.329800       1.084700      -1.591900    
 H    5.301000       1.714100     -0.2924000    
 H   -3.959000       1.265600      -1.385500    
 H   -3.633600      -2.988800      -1.047400    
 H   -4.778000     -0.9774000      -1.940700    
 H   -1.772600       3.674900     -0.6347000    


%chk=000070852-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070852

0 1
O -0.674197 -0.917231 2.510146
O -2.049790 2.809991 -0.947741
O -0.673075 2.059285 0.761147
C 3.501301 -0.344527 -0.387115
C 0.855875 -0.541117 0.676747
C 4.904725 -0.188930 -0.951354
C -1.725239 -0.664178 0.365286
C -0.505697 -0.676840 1.277210
C 2.379336 -0.474132 -1.246241
C 3.274887 -0.322262 1.016950
C 1.072416 -0.568001 -0.725826
C 1.975637 -0.422330 1.543331
C -2.210093 0.491060 -0.317281
C -2.427521 -1.885318 0.221236
C 5.307812 1.303473 -1.108912
C -3.358501 0.397309 -1.147227
C -3.566690 -1.974121 -0.608421
C -4.030141 -0.831281 -1.301413
C -1.556884 1.808872 -0.092950
H 5.635208 -0.688700 -0.286652
H 4.972445 -0.687107 -1.937003
H 2.535658 -0.505989 -2.331513
H 4.131511 -0.227994 1.695818
H 0.222744 -0.679118 -1.408905
H 1.794673 -0.410146 2.623162
H -2.072948 -2.765678 0.766873
H 4.615861 1.828289 -1.791982
H 6.331214 1.392319 -1.516848
H 5.277496 1.824958 -0.135317
H -3.715536 1.299391 -1.651061
H -4.091456 -2.930276 -0.710098
H -4.914903 -0.895749 -1.943294
H -1.593028 3.665477 -0.726752


