%chk=000058172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058172

0 1
 O    2.265700      -1.596700      0.4242000    
 O    3.282700       1.291300     -0.9413000    
 O    3.014900       1.589900       1.296000    
 C  -0.2089000      -2.938200      6.0500000E-02
 C  -6.8499997E-02  -1.456100     -5.4200001E-02
 C   -1.080600      0.6988000     -0.4648000    
 C   -1.193300     -0.6869000     -0.3524000    
 C   0.1568000       1.315400     -0.2790000    
 C    1.169000     -0.8396000      0.1315000    
 C    1.281600      0.5463000      1.9200001E-02
 C  -0.6646000      -3.588500      -1.258700    
 C   -1.155000      -3.351800       1.202700    
 C   -2.300700       1.500000     -0.7832000    
 C   0.2710000       2.802700     -0.3998000    
 C    2.578900       1.184700      0.2168000    
 C   -3.047400       1.946500      0.4458000    
 C   -4.301400       1.582200      0.7366000    
 H   0.7518000      -3.412300      0.2843000    
 H   -2.162000      -1.158600     -0.4973000    
 H   -1.674200      -3.274600      -1.544600    
 H  -0.6709000      -4.680200      -1.167200    
 H   1.3800000E-02  -3.324100      -2.077600    
 H  -0.8267000      -2.919600       2.154500    
 H   -1.167600      -4.441400       1.315500    
 H   -2.184900      -3.025500       1.022700    
 H   -2.060200       2.377400      -1.394100    
 H   -2.960300      0.9031000      -1.428800    
 H    1.237900       3.198900     -7.8100003E-02
 H   0.1363000       3.107100      -1.443300    
 H  -0.4701000       3.310000      0.2248000    
 H   -2.538800       2.619200       1.131400    
 H    2.028600      -2.226800       1.125100    
 H   -4.784700       1.946400       1.636600    
 H   -4.863900      0.9188000      8.9000002E-02
 H    4.153100       1.721600     -0.8015000    


%chk=000058172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058172

0 1
O 2.279499 -1.518453 0.528597
O 3.589939 0.855247 -0.424363
O 2.786768 2.036572 1.396340
C -0.173789 -2.984803 -0.160259
C -0.072210 -1.457016 -0.237317
C -1.090676 0.780579 -0.580281
C -1.161391 -0.631589 -0.585781
C 0.128420 1.423657 -0.217977
C 1.144557 -0.804564 0.103720
C 1.255692 0.610386 0.100063
C -1.300864 -3.579395 -1.034622
C -0.337537 -3.443296 1.320076
C -2.344634 1.579722 -0.939912
C 0.229950 2.941853 -0.229934
C 2.570947 1.232577 0.457773
C -3.210800 1.872326 0.278358
C -4.526439 1.561459 0.387944
H 0.775813 -3.422380 -0.550560
H -2.114184 -1.097178 -0.860848
H -2.297779 -3.290920 -0.653636
H -1.250193 -4.683061 -1.019552
H -1.221278 -3.243455 -2.083966
H 0.456790 -3.037385 1.972991
H -0.319901 -4.546547 1.394662
H -1.305077 -3.087442 1.717992
H -2.059891 2.536313 -1.419301
H -2.946629 1.022365 -1.681311
H 1.129546 3.297937 0.292226
H 0.258437 3.326196 -1.268324
H -0.642273 3.405040 0.263301
H -2.701877 2.361894 1.122871
H 2.150006 -2.490909 0.402132
H -5.098641 1.796515 1.292414
H -5.069976 1.064832 -0.426097
H 4.447078 1.252323 -0.106122


