%chk=000026404.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026404

0 1
 O   -1.211600      -2.071200     -0.3383000    
 O   -1.099700       2.089900      0.3401000    
 O   -2.374200      -2.970500       1.439400    
 O   -2.245900       3.018900      -1.435500    
 C   -3.472200     -0.3512000     -0.6471000    
 C   -3.455000      0.4741000      0.6456000    
 C    1.171400      -2.062300     -0.6463000    
 C    1.282400       2.022400      0.6459000    
 C    2.524800      -2.457800     -6.0199998E-02
 C    2.644500       2.385300      5.8699999E-02
 C   -3.545900      -1.854200     -0.3766000    
 C   -3.452900       1.976500      0.3760000    
 C   2.2200000E-02  -2.482700      0.2589000    
 C   0.1430000       2.471600     -0.2579000    
 C    3.674800      -1.994900     -0.9542000    
 C    3.783700       1.893400      0.9512000    
 C   -2.339100      -2.383000      0.3669000    
 C   -2.217800       2.429500     -0.3627000    
 C    5.025300      -2.357100     -0.3572000    
 C    5.142100       2.223200      0.3533000    
 H   -2.586300     -0.1241000      -1.251100    
 H   -4.344800     -6.3600004E-02  -1.246200    
 H   -2.583700      0.2025000       1.252700    
 H   -4.343100      0.2291000       1.240900    
 H    1.039300      -2.517000      -1.636000    
 H    1.127500     -0.9784000     -0.8088000    
 H    1.162400       2.479200       1.636200    
 H    1.212300      0.9397000      0.8073000    
 H    2.569200      -3.546500      6.4800002E-02
 H    2.635700      -2.012800      0.9363000    
 H    2.715400       3.472600     -6.5200001E-02
 H    2.743500       1.938900     -0.9383000    
 H   -3.632000      -2.408600      -1.318000    
 H   -4.439200      -2.085700      0.2151000    
 H   -3.510600       2.536200       1.316100    
 H   -4.331300       2.253500     -0.2181000    
 H   1.8999999E-02  -3.571800      0.3835000    
 H   0.1230000      -2.005800       1.240900    
 H   0.1664000       3.560600     -0.3815000    
 H   0.2313000       1.993400      -1.240500    
 H    3.624600     -0.9087000      -1.094100    
 H    3.583500      -2.454000      -1.945500    
 H    3.707100      0.8086000       1.090100    
 H    3.704500       2.353600       1.943000    
 H    5.161600      -1.882600      0.6200000    
 H    5.120700      -3.440100     -0.2304000    
 H    5.832800      -2.018900      -1.013900    
 H    5.265900       1.746400     -0.6244000    
 H    5.263800       3.303800      0.2275000    
 H    5.941800       1.864800       1.009000    


%chk=000026404-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026404

0 1
O -1.201562 -2.062960 -0.330457
O -1.159992 2.149991 0.344033
O -2.302795 -2.848323 1.566054
O -2.230054 2.941848 -1.567665
C -3.604243 -0.369163 -0.637026
C -3.602278 0.508579 0.634095
C 1.201668 -1.991080 -0.675249
C 1.239144 1.993588 0.692050
C 2.615554 -2.278018 -0.118197
C 2.661476 2.189621 0.117052
C -3.599030 -1.888902 -0.318626
C -3.560156 2.028035 0.316005
C 0.105077 -2.405559 0.305679
C 0.158822 2.443570 -0.291358
C 3.737729 -1.862729 -1.097089
C 3.769212 1.741084 1.097641
C -2.348201 -2.326821 0.427592
C -2.295022 2.433320 -0.424273
C 5.151869 -2.128636 -0.538731
C 5.188964 1.896594 0.511955
H -2.721819 -0.136125 -1.261095
H -4.500362 -0.138882 -1.245947
H -2.732447 0.256546 1.268421
H -4.510368 0.297976 1.232282
H 1.056799 -2.529615 -1.631593
H 1.098283 -0.910807 -0.897529
H 1.132374 2.559544 1.637396
H 1.078853 0.925483 0.938302
H 2.714782 -3.359098 0.112371
H 2.754817 -1.740844 0.843781
H 2.816862 3.256929 -0.144736
H 2.761711 1.619146 -0.830463
H -3.657296 -2.457203 -1.265976
H -4.467336 -2.163489 0.304749
H -3.609985 2.597641 1.262949
H -4.418254 2.322552 -0.312365
H 0.119868 -3.490877 0.518376
H 0.177551 -1.867317 1.269631
H 0.212269 3.526559 -0.509418
H 0.213667 1.898049 -1.252423
H 3.629867 -0.784585 -1.336290
H 3.605591 -2.407649 -2.053751
H 3.598162 0.681203 1.378247
H 3.685270 2.327904 2.034664
H 5.324985 -1.556723 0.392690
H 5.291450 -3.200951 -0.305046
H 5.933859 -1.837002 -1.263559
H 5.312292 1.276919 -0.396468
H 5.390516 2.947715 0.231776
H 5.962057 1.587163 1.238938


