%chk=000100450.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100450

0 1
 O   0.3499000      0.1095000      0.2270000    
 O   -3.835500      -1.887700     -0.9589000    
 O   -5.592200      0.9325000      -1.568600    
 O   -4.080700       2.665000       2.095300    
 O   0.5424000       1.881400      -1.275400    
 O    2.599200     -0.6558000      -2.158000    
 O    6.585700      0.5187000      0.1694000    
 C   -1.741200     -0.8997000     -0.3707000    
 C   -3.778200      0.3573000     -0.1422000    
 C   -3.048200       1.446900      0.3328000    
 C   -3.121600     -0.8215000     -0.4956000    
 C   -1.005000      0.1787000      0.1010000    
 C   -1.029700      -2.173600     -0.7527000    
 C   -1.661600       1.357600      0.4544000    
 C   -5.265300      0.4495000     -0.2730000    
 C   -3.727700       2.719900      0.7194000    
 C  -0.9041000      -3.126800      0.4022000    
 C   0.2239000      -3.604000      0.9624000    
 C    2.511900      0.9135000     -0.3439000    
 C    1.045800       1.051500     -0.5334000    
 C    3.136400       1.638600      0.6533000    
 C    3.213800      5.9900001E-02  -1.174100    
 C   0.2806000      -4.559000       2.120800    
 C    1.571200      -3.196300      0.4279000    
 C    4.513900       1.505000      0.8270000    
 C    4.591300     -7.3500000E-02  -1.000400    
 C    2.383600       2.563400       1.553800    
 C    5.241300      0.6489000      9.9999997E-05
 H   -1.575600      -2.683400      -1.557100    
 H  -7.1599998E-02  -1.919800      -1.214000    
 H   -1.098000       2.201500      0.8461000    
 H   -5.754400     -0.5182000     -0.1172000    
 H   -5.713200       1.106700      0.4789000    
 H   -3.046900       3.568200      0.5788000    
 H   -4.612000       2.941600      0.1147000    
 H   -1.850100      -3.470100      0.8202000    
 H   -4.641500      -1.579300      -1.403500    
 H   0.8423000      -4.118000       2.950600    
 H   0.7668000      -5.493800       1.824200    
 H  -0.7210000      -4.804900       2.488700    
 H    2.295600      -4.007100      0.5686000    
 H    1.943600      -2.320600      0.9685000    
 H    1.574400      -2.987500     -0.6439000    
 H    5.031200       2.063100       1.603600    
 H   -6.562100      0.9790000      -1.619800    
 H    5.159700     -0.7407000      -1.644000    
 H    1.881800       3.343000      0.9711000    
 H    1.638900       2.010000       2.135400    
 H    3.045100       3.067200       2.267000    
 H   -4.498600       3.514700       2.316600    
 H    3.262000      -1.196800      -2.620400    
 H    6.926700     -0.1127000     -0.4870000    


%chk=000100450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100450

0 1
O 0.350696 0.409631 -0.107100
O -3.690830 -2.013850 -0.910987
O -5.871778 -0.688131 -1.228902
O -4.911953 2.463436 1.698877
O 0.825551 2.702858 0.110368
O 2.140910 -0.309054 -2.066438
O 6.742451 0.070462 -0.399936
C -1.682823 -0.759878 -0.522493
C -3.901751 0.324677 -0.184777
C -3.248885 1.531248 0.180658
C -3.102021 -0.802457 -0.535414
C -1.078933 0.460941 -0.137269
C -0.880983 -1.999664 -0.895519
C -1.838628 1.601466 0.211446
C -5.409047 0.192092 -0.105837
C -4.038730 2.772194 0.536440
C -0.873053 -3.028288 0.229535
C 0.197819 -3.464116 0.952809
C 2.636462 1.093248 -0.150858
C 1.207487 1.518711 -0.052911
C 3.603154 1.660305 0.743831
C 3.083766 0.189738 -1.155095
C 0.019841 -4.512510 2.041843
C 1.624865 -2.977775 0.767580
C 4.958740 1.288516 0.634211
C 4.445883 -0.171976 -1.269023
C 3.200692 2.641317 1.830367
C 5.376056 0.380396 -0.362844
H -1.372533 -2.461064 -1.774234
H 0.137485 -1.698890 -1.181659
H -1.337579 2.525870 0.497181
H -5.704817 -0.272285 0.857425
H -5.906062 1.172749 -0.179919
H -3.339351 3.594229 0.782440
H -4.669681 3.093825 -0.322479
H -1.864152 -3.444381 0.460854
H -4.657663 -1.814986 -1.147559
H 0.330291 -4.115472 3.029604
H 0.651006 -5.403240 1.846800
H -1.029537 -4.846156 2.120796
H 2.279691 -3.803504 0.420497
H 2.042661 -2.629164 1.733204
H 1.700029 -2.144213 0.052775
H 5.707375 1.694965 1.319256
H -6.839105 -0.867233 -1.138807
H 4.769505 -0.870198 -2.053424
H 2.812827 3.576212 1.391297
H 2.390581 2.237503 2.464666
H 4.060799 2.878160 2.477868
H -5.352232 3.299478 1.999941
H 2.581447 -0.858524 -2.762005
H 6.947056 -0.575218 -1.121081


