%chk=000126049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126049

0 1
 O   -3.079900      0.5082000      -2.001500    
 O   -2.918200      -1.207200       1.733100    
 O   0.4998000      -2.469000      0.4320000    
 O   -5.025300      0.2810000      0.8040000    
 O   -5.974400      -1.830800     -0.5592000    
 O    6.557100     -0.3006000      -1.110300    
 C   -1.824500      0.1096000      6.6500001E-02
 C  -0.8729000       1.289000     -0.2496000    
 C   0.5211000       1.119000      0.3711000    
 C    1.171300     -0.1884000     -0.1735000    
 C   -3.124100      0.6465000     -0.5840000    
 C   -1.690200       2.520300      0.1352000    
 C    2.624600     -0.4323000      0.3797000    
 C   -1.224900      -1.153400     -0.5591000    
 C   -3.143900       2.144500     -0.2134000    
 C    1.418300       2.322300      5.5300001E-02
 C   0.1852000      -1.370800     -2.3000000E-02
 C   -2.031000     -0.1245000       1.588900    
 C    3.452700      0.8518000      0.2056000    
 C    2.807400       2.142600      0.6515000    
 C    3.278200      -1.587300     -0.4361000    
 C   -4.374000     -7.3600002E-02 -0.1775000    
 C    2.627600     -0.7907000       1.883200    
 C    4.787300      -1.675800     -0.2697000    
 C    4.702500      0.8822000     -0.2873000    
 C    5.430200     -0.3621000     -0.6230000    
 C   -4.780100      -1.250500      -1.038900    
 H  -0.7281000       1.342900      -1.341100    
 H   0.4183000       1.056700       1.460100    
 H    1.268200     -6.3699998E-02  -1.264400    
 H   -1.369800       3.410500     -0.4158000    
 H   -1.599700       2.744100       1.204100    
 H   -1.142900      -1.076800      -1.649400    
 H   -1.821800      -2.045100     -0.3451000    
 H   -3.780900       2.371400      0.6482000    
 H   -3.495200       2.762500      -1.047700    
 H   0.9787000       3.240400      0.4620000    
 H    1.496700       2.461000      -1.030900    
 H   -2.459300      0.7459000       2.094700    
 H   -1.101300     -0.3835000       2.102900    
 H    2.740800       2.148000       1.746500    
 H    3.420400       3.010500      0.3784000    
 H    3.062600      -1.446900      -1.504700    
 H    2.849900      -2.556800     -0.1609000    
 H    3.646200     -0.8105000       2.288700    
 H    2.063700     -6.9499999E-02   2.482900    
 H    2.195400      -1.777800       2.071200    
 H   -3.789000       1.051500      -2.386200    
 H    5.178000      -2.446000     -0.9440000    
 H    5.069800      -1.943600      0.7532000    
 H    5.249600       1.811700     -0.4053000    
 H   -3.048200      -1.351300       2.685800    
 H   -4.002200      -2.015100      -1.016100    
 H   -4.963000     -0.9396000      -2.070300    
 H   -6.682700      -1.172600     -0.6626000    


%chk=000126049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126049

0 1
O -2.933713 0.431764 -2.115985
O -2.962868 -1.359564 1.573909
O 0.551623 -2.477766 0.443724
O -5.186457 0.413310 0.681159
O -6.128940 -1.827987 -0.436346
O 6.700272 -0.306331 -1.083316
C -1.826003 0.110288 0.028660
C -0.868378 1.317950 -0.209995
C 0.525903 1.145147 0.423803
C 1.194839 -0.158315 -0.145513
C -3.142331 0.653304 -0.665319
C -1.714658 2.556928 0.162052
C 2.657577 -0.429238 0.381489
C -1.193110 -1.156860 -0.597259
C -3.155890 2.177790 -0.306317
C 1.429121 2.362205 0.125426
C 0.225060 -1.363553 -0.044533
C -2.120107 -0.153291 1.524512
C 3.485680 0.861874 0.219856
C 2.854097 2.160743 0.687745
C 3.290315 -1.570738 -0.477918
C -4.442841 -0.053740 -0.233038
C 2.660680 -0.817692 1.896439
C 4.820279 -1.687847 -0.325036
C 4.767120 0.858652 -0.269365
C 5.521025 -0.364785 -0.616706
C -4.890766 -1.308441 -0.977176
H -0.720004 1.349958 -1.311272
H 0.429900 1.053571 1.525845
H 1.284903 0.029447 -1.242693
H -1.348978 3.472452 -0.332707
H -1.690636 2.744824 1.252497
H -1.148047 -1.018027 -1.694320
H -1.771851 -2.065992 -0.371033
H -3.909515 2.365273 0.476864
H -3.458980 2.765613 -1.193447
H 0.986919 3.277210 0.563399
H 1.479423 2.516514 -0.972274
H -2.642958 0.706346 1.987610
H -1.178770 -0.342052 2.077008
H 2.791826 2.148891 1.797018
H 3.502378 3.013929 0.418248
H 3.062542 -1.372583 -1.545864
H 2.809241 -2.526498 -0.215009
H 3.695856 -0.933735 2.263213
H 2.176819 -0.045844 2.522048
H 2.125662 -1.769379 2.040584
H -3.539404 1.031497 -2.621320
H 5.233112 -2.464140 -0.993202
H 5.086204 -1.990945 0.708507
H 5.320080 1.800826 -0.382358
H -3.530096 -1.351342 2.382961
H -4.087367 -2.066387 -0.899701
H -5.017903 -1.072423 -2.052885
H -6.403785 -1.212510 0.301529


