%chk=000157507.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157507

0 1
 O   -4.412300      -1.395700       1.901600    
 O   -2.605900      -2.051000      -1.169300    
 O   -4.933600     -0.4551000      -1.607500    
 O   -4.971900       2.053800     -0.5445000    
 C   -4.271100      -1.484900      0.4856000    
 C   -2.775600      -1.496100      0.1355000    
 C   -5.000700     -0.3267000     -0.1886000    
 C   -2.097600     -0.1311000      0.1416000    
 C   -4.393000       1.011200      0.2398000    
 C   -2.879900       1.048000      0.1590000    
 C  -0.6646000     -3.9000001E-02  0.1039000    
 C  -5.5700000E-02   1.232300      0.1108000    
 C   -2.237500       2.292200      0.1852000    
 C   0.2062000      -1.152400      6.0199998E-02
 C  -0.8499000       2.382100      0.1553000    
 C    1.609600      -1.032800      2.5300000E-02
 C    2.220500      0.2391000      3.3399999E-02
 C    1.348100       1.352200      7.7100001E-02
 C    3.658500      0.3329000     -2.3000001E-03
 C    2.401200      -2.184700     -1.7800000E-02
 C    4.428500     -0.8582000     -4.5200001E-02
 C    3.789000      -2.099500     -5.2400000E-02
 C    4.378300       1.554200      2.0999999E-03
 C    5.832500     -0.8030000     -8.0600001E-02
 C    5.774800       1.595800     -3.3399999E-02
 C    6.502200      0.4165000     -7.4600004E-02
 H   -4.719500      -2.434100      0.1675000    
 H   -2.266800      -2.145100      0.8587000    
 H   -6.063600     -0.3287000      8.1799999E-02
 H   -4.656800       1.208300       1.287000    
 H   -2.815100       3.212400      0.2349000    
 H  -0.2122000      -2.158400      4.9899999E-02
 H  -0.3949000       3.370800      0.1709000    
 H    1.763700       2.359000      8.5400000E-02
 H   -5.363900      -1.399000       2.101400    
 H   -2.946800      -2.961400      -1.147800    
 H   -5.323400      -1.314500      -1.841800    
 H   -5.935000       2.017600     -0.4152000    
 H    1.943700      -3.172500     -2.4700001E-02
 H    4.365200      -3.022200     -8.5100003E-02
 H    3.862600       2.510500      3.3799998E-02
 H    6.421400      -1.717900     -0.1134000    
 H    6.288400       2.552700     -2.8500000E-02
 H    7.587100      0.4434000     -0.1023000    


%chk=000157507-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157507

0 1
O -4.277441 -1.361120 2.081050
O -2.793268 -1.960965 -1.270520
O -5.098570 -0.469430 -1.508982
O -5.084435 2.065889 -0.499181
C -4.303367 -1.491700 0.616481
C -2.827920 -1.489233 0.161669
C -5.082970 -0.335122 -0.040078
C -2.168200 -0.125168 0.173122
C -4.464856 1.029646 0.336985
C -2.939408 1.044474 0.221621
C -0.721164 -0.038883 0.110335
C -0.087756 1.269656 0.127078
C -2.300548 2.331698 0.209380
C 0.125152 -1.175659 0.028124
C -0.917915 2.442198 0.172860
C 1.533158 -1.068217 -0.008103
C 2.167519 0.240902 0.029213
C 1.329115 1.372346 0.089101
C 3.636568 0.326272 -0.004484
C 2.359424 -2.257208 -0.085869
C 4.409604 -0.887836 -0.079688
C 3.734310 -2.171335 -0.120307
C 4.340263 1.566483 0.035705
C 5.834757 -0.820524 -0.113406
C 5.742967 1.614041 0.001669
C 6.500241 0.412459 -0.073864
H -4.764058 -2.459571 0.319956
H -2.274083 -2.204627 0.798697
H -6.145711 -0.349280 0.264119
H -4.747484 1.292157 1.372846
H -2.940982 3.218846 0.217348
H -0.310064 -2.178592 -0.029985
H -0.439991 3.429009 0.172432
H 1.758964 2.379622 0.105477
H -5.200355 -1.434958 2.432716
H -2.903296 -2.946432 -1.299599
H -4.246162 -0.924510 -1.786877
H -5.150661 1.659435 -1.408938
H 1.861917 -3.233824 -0.116177
H 4.348222 -3.077980 -0.178510
H 3.786382 2.508394 0.095963
H 6.405685 -1.755085 -0.170881
H 6.256137 2.581360 0.034280
H 7.594479 0.453374 -0.100075


