%chk=000147688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147688

0 1
 O  -5.4000001E-02   3.119500      0.1555000    
 O    2.486500     -0.7168000      -2.009500    
 O    1.875900      -2.997800      0.6924000    
 C    1.526300       1.318800      0.3511000    
 C    1.781900     -0.1666000      0.1729000    
 C    2.262600      0.5383000       1.409600    
 C   0.1082000       1.774900      0.6013000    
 C  -0.8815000      0.8842000     -0.1619000    
 C   0.6084000      -1.058900      0.2452000    
 C  -0.6437000     -0.5929000      7.0900001E-02
 C   -2.339200       1.062100      0.2675000    
 C    2.361000       2.253700     -0.4749000    
 C   -3.021900     -0.2532000     -0.1579000    
 C   -1.957900      -1.324400      0.1683000    
 C    2.776300     -0.6113000     -0.8250000    
 C   0.7781000      -2.494200      0.5231000    
 C   -4.312600     -0.4871000      0.6328000    
 C   -3.354500     -0.2483000      -1.661500    
 H    1.759100      0.3380000       2.349600    
 H    3.327400      0.7052000       1.532700    
 H  -9.7700000E-02   1.760700       1.678800    
 H  -0.8043000       1.089500      -1.238600    
 H   -2.406300       1.196400       1.355300    
 H   -2.797000       1.940200     -0.2012000    
 H    2.425100       3.239500     -6.9999998E-04
 H    3.394500       1.911500     -0.5992000    
 H    1.931400       2.375400      -1.475200    
 H   -2.010700      -2.166900     -0.5290000    
 H   -2.085400      -1.699800       1.190700    
 H    3.785200     -0.8521000     -0.4500000    
 H  -0.9536000       3.402300      0.3913000    
 H  -0.1352000      -3.106600      0.5726000    
 H   -5.046700      0.3004000      0.4291000    
 H   -4.766200      -1.449200      0.3704000    
 H   -4.124700     -0.4931000       1.712300    
 H   -2.462500     -0.1333000      -2.285400    
 H   -3.837600      -1.186900      -1.956400    
 H   -4.040000      0.5704000      -1.907600    


%chk=000147688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147688

0 1
O -0.023454 3.129853 0.638541
O 2.440850 -1.399474 -1.924757
O 1.954316 -3.013356 0.908882
C 1.594954 1.325557 0.369444
C 1.795337 -0.224910 0.113603
C 2.418301 0.494761 1.340517
C 0.139311 1.675204 0.765934
C -0.867303 0.894765 -0.120740
C 0.592666 -1.112535 0.282139
C -0.668534 -0.597637 0.119210
C -2.370682 1.126046 0.183369
C 2.280549 2.345870 -0.537048
C -3.070804 -0.221170 -0.195891
C -2.020077 -1.281550 0.277312
C 2.735099 -0.620757 -0.985161
C 0.821465 -2.528058 0.632055
C -4.431680 -0.391549 0.512103
C -3.259358 -0.316211 -1.733522
H 1.998924 0.247134 2.320765
H 3.507383 0.619241 1.334198
H -0.043016 1.373936 1.822202
H -0.644806 1.144635 -1.178574
H -2.509455 1.314330 1.270132
H -2.798927 1.981183 -0.369262
H 2.279230 3.332475 -0.046752
H 3.324704 2.059895 -0.749851
H 1.748585 2.455632 -1.499161
H -2.096848 -2.226302 -0.291557
H -2.199380 -1.534355 1.343095
H 3.755047 -0.163037 -0.919820
H -0.947463 3.366667 0.905698
H -0.090419 -3.173905 0.654245
H -5.150233 0.382772 0.183915
H -4.877137 -1.378050 0.284012
H -4.325137 -0.312452 1.610754
H -2.295371 -0.254530 -2.270535
H -3.732345 -1.277424 -2.008116
H -3.909594 0.498904 -2.101978


