%chk=000158227.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158227

0 1
 O    3.200600      0.2762000     -0.3625000    
 O    2.392300     -0.6042000       1.641100    
 O    6.153600       2.361300       1.587900    
 O    3.796100       1.393300       3.063900    
 O    5.387000       3.110600      -1.113700    
 O    4.317800       1.894600      -3.271000    
 O    3.716500     -0.2544000      -2.806300    
 O   -2.182800     -0.1274000      0.4844000    
 O    2.404700      -3.200000      0.6846000    
 O   0.1395000      -4.287300     -0.3799000    
 O   -2.376700      -3.926300     -0.9746000    
 O   -5.099600       3.905200     -0.2020000    
 O   -7.696400       2.944000      4.1000001E-02
 C    4.850400       2.167300       1.036200    
 C    4.165700      0.9974000       1.743200    
 C    5.005800       1.900500     -0.4613000    
 C    2.900900      0.5655000       1.000700    
 C    3.693300       1.413200      -1.062000    
 C    3.897900      0.9006000      -2.450800    
 C    1.259400      -1.148000       1.109700    
 C    1.261000      -2.456900      0.6256000    
 C   9.4599999E-02 -0.3820000       1.053900    
 C   -1.069200     -0.9282000      0.5121000    
 C   -1.065800      -2.235700      2.9200001E-02
 C   9.8300003E-02  -3.006000      8.3499998E-02
 C   -2.307100      -2.786700     -0.5355000    
 C   -3.352100     -0.6407000     -5.5500001E-02
 C   -3.476200      -1.884500     -0.5454000    
 C   -4.488800      0.3017000     -3.0500000E-02
 C    3.282400      -3.126900     -0.4361000    
 C   -4.262800       1.677000     -0.1289000    
 C   -5.795400     -0.1775000      9.1700003E-02
 C   -5.336300       2.567100     -0.1052000    
 C   -6.869100      0.7125000      0.1155000    
 C   -6.639500       2.084900      1.7000001E-02
 H    4.299000       3.100400       1.206800    
 H    4.856500      0.1505000       1.840900    
 H    5.810900       1.174300     -0.6286000    
 H    2.154000       1.368100       1.059000    
 H    2.919300       2.190000      -1.095800    
 H    6.044700       2.615800       2.519600    
 H    4.613500       1.577200       3.556400    
 H    4.678700       3.762800     -0.9776000    
 H   7.5099997E-02  0.6317000       1.444900    
 H    4.459800       1.577500      -4.188300    
 H   -4.387900      -2.279200     -0.9782000    
 H  -0.7219000      -4.551800     -0.7366000    
 H    2.735500      -3.005400      -1.377200    
 H    3.854100      -4.057800     -0.4835000    
 H    3.982600      -2.298300     -0.3011000    
 H   -3.255200       2.073600     -0.2331000    
 H   -6.014400      -1.237100      0.1931000    
 H   -7.879100      0.3240000      0.2160000    
 H   -5.953700       4.370100     -0.1686000    
 H   -8.518700       2.432100      0.1300000    


%chk=000158227-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158227

0 1
O 3.455259 0.219206 -0.370920
O 2.318264 -0.195450 1.655292
O 6.143597 2.802506 1.566870
O 3.680154 2.069453 2.908950
O 5.973474 2.792777 -1.313330
O 3.988303 1.039558 -3.606517
O 5.330893 -0.514064 -2.513833
O -2.385142 -0.051124 0.499871
O 2.555038 -2.757401 0.698853
O 0.276863 -4.010454 -0.559650
O -2.193098 -3.877847 -1.156490
O -5.582895 3.632217 1.306103
O -8.002993 2.874173 0.379478
C 4.921067 2.377481 0.882660
C 4.129518 1.357518 1.709576
C 5.372118 1.774921 -0.456947
C 2.950381 0.834852 0.873111
C 4.145153 1.220715 -1.214653
C 4.571210 0.473560 -2.475022
C 1.177184 -0.806161 1.065759
C 1.332390 -2.119338 0.540269
C -0.052066 -0.111377 1.071087
C -1.158695 -0.747995 0.495737
C -1.067587 -2.046901 -0.069009
C 0.185871 -2.741407 -0.036765
C -2.255483 -2.679763 -0.644687
C -3.529387 -0.637760 -0.053402
C -3.478016 -1.905737 -0.609517
C -4.709995 0.240865 0.039978
C 3.210310 -3.294150 -0.522387
C -4.591738 1.529411 0.632665
C -5.974064 -0.182970 -0.455946
C -5.709474 2.370984 0.724497
C -7.097900 0.661000 -0.364278
C -6.967274 1.933897 0.223825
H 4.268270 3.257820 0.689241
H 4.765190 0.487172 1.970386
H 6.081772 0.945581 -0.257519
H 2.229859 1.645393 0.611868
H 3.465482 2.051317 -1.489897
H 5.890130 3.134002 2.466170
H 3.234665 1.419618 3.509632
H 6.709353 3.214894 -0.799334
H -0.139125 0.883110 1.514737
H 4.304792 0.560501 -4.420757
H -4.371064 -2.360231 -1.040128
H -0.677750 -4.255590 -0.914835
H 2.538938 -3.991489 -1.049422
H 4.101191 -3.820061 -0.149055
H 3.514941 -2.453327 -1.170243
H -3.633104 1.877600 1.021705
H -6.093767 -1.168218 -0.913588
H -8.068311 0.325135 -0.749088
H -6.463883 4.091059 1.289422
H -8.866022 2.549215 0.027577


