%chk=000053178.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053178

0 1
 O   -2.465000      0.9077000     -0.6558000    
 O  -0.3439000      0.2016000      -2.276200    
 O   -1.099300       2.883700      0.8514000    
 O    3.179800      -2.257400      0.6687000    
 O    5.138400     -0.2860000      0.7025000    
 C  -7.6200001E-02  0.9325000      -1.077000    
 C   -1.193100      0.6630000     -5.1500000E-02
 C    1.321800      0.6026000     -0.5993000    
 C   -1.069000       1.506800       1.214500    
 C    1.606100     -0.6863000     -0.1838000    
 C    2.284000       1.597100     -0.5886000    
 C    2.894100     -0.9907000      0.2566000    
 C    3.571900       1.292700     -0.1480000    
 C    3.877000     -1.1000000E-03  0.2746000    
 C   -3.503800      0.1289000     -0.2278000    
 C   -3.438700      -1.253500     -0.3765000    
 C   -4.620000      0.7234000      0.3536000    
 C   -4.498600      -2.048100      6.0100000E-02
 C   -5.679900     -7.1300000E-02  0.7903000    
 C   -5.619200      -1.457200      0.6435000    
 C    3.649900      -3.170300     -0.3212000    
 C    6.083900      0.7819000      0.6897000    
 H  -0.1228000       1.986700      -1.377800    
 H   -1.126600     -0.3879000      0.2537000    
 H  -0.1344000       1.305100       1.746400    
 H   -1.906400       1.323800       1.894900    
 H   0.8505000      -1.466400     -0.2041000    
 H    2.057200       2.608000     -0.9144000    
 H   -1.246700      0.4261000      -2.559800    
 H    4.283600       2.110900     -0.1612000    
 H   -1.018200       3.396400       1.673700    
 H   -2.583400      -1.729400     -0.8483000    
 H   -4.671300       1.802200      0.4707000    
 H   -4.453600      -3.126700     -5.8699999E-02
 H   -6.552600      0.3890000       1.244500    
 H   -6.445000      -2.075900      0.9824000    
 H    4.583900      -2.811000     -0.7646000    
 H    2.894300      -3.313200      -1.100300    
 H    3.839800      -4.132300      0.1626000    
 H    7.031500      0.3776000       1.060800    
 H    5.792700       1.587000       1.373000    
 H    6.269600       1.144300     -0.3271000    


%chk=000053178-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053178

0 1
O -2.492674 0.847105 -0.475265
O -0.535373 0.103977 -2.234999
O -1.071864 2.832345 1.069022
O 3.406019 -2.504248 -0.599555
O 5.185248 -0.601186 0.529822
C -0.159849 0.884169 -1.049830
C -1.146445 0.548476 0.102467
C 1.268450 0.531351 -0.672115
C -0.952726 1.400459 1.367577
C 1.746149 -0.789574 -0.843241
C 2.128892 1.505893 -0.120494
C 3.052861 -1.150017 -0.460041
C 3.440201 1.160701 0.277195
C 3.910717 -0.164849 0.124914
C -3.637602 0.181256 0.023803
C -3.624914 -0.770759 1.071825
C -4.853009 0.532593 -0.612562
C -4.841953 -1.373310 1.468662
C -6.056868 -0.075064 -0.203184
C -6.059533 -1.032863 0.840131
C 4.652265 -2.814029 -1.331545
C 6.052165 0.373871 1.196158
H -0.238449 1.971119 -1.255678
H -1.066511 -0.532715 0.327103
H 0.065516 1.262758 1.763871
H -1.684276 1.101781 2.146059
H 1.112980 -1.549028 -1.310376
H 1.775659 2.535635 0.008446
H -1.511031 0.237514 -2.366585
H 4.086528 1.930199 0.709733
H -1.936340 2.964423 0.599571
H -2.697910 -1.054084 1.577913
H -4.833234 1.271806 -1.419758
H -4.830176 -2.111832 2.277955
H -6.993743 0.198547 -0.700795
H -6.995795 -1.503930 1.156360
H 5.531447 -2.403903 -0.808262
H 4.601042 -2.413150 -2.362497
H 4.695827 -3.913511 -1.361009
H 6.963550 -0.184435 1.456254
H 5.578618 0.766324 2.116720
H 6.308442 1.214484 0.522430


