%chk=000005994.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005994

0 1
 O    5.519300     -0.1943000     -0.6738000    
 O   -6.086800     -0.2507000       1.000300    
 C    1.433900      0.9512000      0.3837000    
 C    2.307700     -0.2438000     -5.3599998E-02
 C   4.6700001E-02  0.9463000     -0.2670000    
 C  -0.6905000     -0.3711000      0.1300000    
 C   -2.151800     -0.4560000     -0.4583000    
 C    3.603100      9.8800004E-02  0.7150000    
 C    1.606800      -1.528700      0.4072000    
 C   0.1769000      -1.628200     -0.1541000    
 C    2.348000       2.153300      0.1720000    
 C  -0.7800000       2.163200      0.1673000    
 C    3.740600       1.628400      0.5654000    
 C   -2.901400      0.8486000     -0.1581000    
 C    2.567100     -0.3066000      -1.581600    
 C   -2.169400       2.135700     -0.4566000    
 C   -2.880800      -1.655300      0.2149000    
 C   -2.147300     -0.6683000      -1.989000    
 C    4.818500     -0.6330000      0.2370000    
 C   -4.390000      -1.633000      3.0500000E-02
 C   -4.154600      0.9011000      0.3236000    
 C   -4.958600     -0.3272000      0.5179000    
 C    5.142400      -1.930400      0.9272000    
 H    1.271000      0.8817000       1.472700    
 H   0.1587000      0.9952000      -1.355400    
 H  -0.8000000     -0.3333000       1.226500    
 H    3.479200     -0.1162000       1.785400    
 H    1.556300      -1.560300       1.503200    
 H    2.171900      -2.414100      9.5799997E-02
 H   0.2299000      -1.817500      -1.230800    
 H  -0.2911000      -2.513400      0.2905000    
 H    2.056900       3.007600      0.7916000    
 H    2.342000       2.483600     -0.8726000    
 H  -0.2776000       3.089200     -0.1355000    
 H  -0.8664000       2.191100       1.261300    
 H    4.478800       1.941200     -0.1802000    
 H    4.054900       2.065700       1.520600    
 H    3.120500      0.5632000      -1.949300    
 H    3.151400      -1.197500      -1.839400    
 H    1.644600     -0.3621000      -2.165300    
 H   -2.085300       2.252800      -1.544100    
 H   -2.731800       3.006400     -9.7400002E-02
 H   -2.671600      -1.651200       1.293900    
 H   -2.498700      -2.607800     -0.1712000    
 H   -1.529700      7.0600003E-02  -2.508900    
 H   -1.768400      -1.660000      -2.257700    
 H   -3.156800     -0.5891000      -2.409300    
 H   -4.834900      -2.445700      0.6153000    
 H   -4.674800      -1.772100      -1.017100    
 H   -4.647900       1.843700      0.5358000    
 H    5.232300      -1.765100       2.003700    
 H    4.368700      -2.671400      0.7216000    
 H    6.098400      -2.310900      0.5558000    


%chk=000005994-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005994

0 1
O 5.654047 -0.265989 -0.617768
O -6.185435 -0.333420 1.067659
C 1.443770 0.978115 0.341940
C 2.326757 -0.246121 -0.069140
C 0.038460 0.973009 -0.299431
C -0.693529 -0.348300 0.101555
C -2.167842 -0.456373 -0.471646
C 3.648758 0.120141 0.727483
C 1.598191 -1.530383 0.392640
C 0.167050 -1.607604 -0.205045
C 2.371932 2.197914 0.130115
C -0.788701 2.197363 0.151478
C 3.789477 1.666622 0.532531
C -2.928041 0.837672 -0.125749
C 2.620785 -0.297064 -1.592380
C -2.226286 2.149802 -0.420712
C -2.871733 -1.680249 0.195377
C -2.174636 -0.622025 -2.025686
C 4.883981 -0.673118 0.295753
C -4.407426 -1.679847 0.050082
C -4.200789 0.836048 0.387928
C -5.019998 -0.378890 0.565552
C 5.151678 -1.986785 1.022167
H 1.284120 0.880974 1.442072
H 0.145459 1.019093 -1.404102
H -0.808735 -0.299340 1.210200
H 3.447646 -0.116232 1.792986
H 1.531719 -1.534796 1.501502
H 2.158635 -2.439167 0.095143
H 0.242782 -1.756030 -1.298709
H -0.331594 -2.507694 0.199282
H 2.068718 3.067324 0.739683
H 2.355377 2.520616 -0.928439
H -0.294976 3.132578 -0.173080
H -0.832205 2.220540 1.260098
H 4.541433 1.869737 -0.249414
H 4.149807 2.138635 1.463958
H 3.244523 0.551211 -1.920241
H 3.173379 -1.219013 -1.850434
H 1.693702 -0.288867 -2.189844
H -2.162406 2.279543 -1.522571
H -2.828275 2.994484 -0.038942
H -2.621247 -1.680959 1.275994
H -2.466995 -2.617389 -0.229539
H -1.624381 0.190997 -2.530846
H -1.711267 -1.579891 -2.321587
H -3.208239 -0.613860 -2.414876
H -4.866009 -2.526367 0.591113
H -4.698704 -1.791242 -1.014653
H -4.693920 1.781576 0.649865
H 5.516950 -1.770085 2.045738
H 4.226339 -2.580554 1.133885
H 5.918197 -2.572042 0.490450


