%chk=000049805.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049805

0 1
 O   -4.112900     -0.7680000      -1.487600    
 O   -4.329700       1.028000       1.639600    
 C   -3.710900     -0.5046000     -0.1413000    
 C   -2.220400     -0.7482000     -2.4599999E-02
 C   -1.289900      0.3097000     -0.1457000    
 C   0.1139000      4.1900001E-02 -7.1000002E-02
 C   -4.132800      0.9247000      0.2313000    
 C   0.5391000      -1.297300      0.1150000    
 C   -1.825400       1.669500     -0.3574000    
 C   -1.766200      -2.057600      0.1525000    
 C   -3.119200       1.954300     -0.1585000    
 C    1.130300       1.028200     -0.1620000    
 C  -0.4043000      -2.325900      0.2231000    
 C    2.501900      0.7207000     -8.2900003E-02
 C    1.908000      -1.607600      0.1934000    
 C    2.895300     -0.6179000      9.6299998E-02
 C    3.488000       1.718000     -0.1777000    
 C    4.263000     -0.9312000      0.1755000    
 C    4.842400       1.393600     -9.7099997E-02
 C    5.229800      6.9499999E-02  7.9000004E-02
 H   -4.243800      -1.214500      0.5036000    
 H   -5.084300       1.169800     -0.2557000    
 H   -1.160100       2.469800     -0.6558000    
 H   -2.472700      -2.880000      0.2321000    
 H   -3.461500       2.977600     -0.2869000    
 H   0.8620000       2.074800     -0.2936000    
 H  -8.6599998E-02  -3.357600      0.3629000    
 H    2.213100      -2.645100      0.3350000    
 H   -3.715800      -1.609700      -1.769000    
 H    3.207600       2.760300     -0.3160000    
 H    4.587000      -1.960700      0.3140000    
 H   -5.040400      0.4104000       1.882300    
 H    5.593200       2.174700     -0.1722000    
 H    6.283500     -0.1855000      0.1418000    


%chk=000049805-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049805

0 1
O -4.109058 -0.744252 -1.546008
O -4.612834 1.081772 1.588246
C -3.702831 -0.518748 -0.127167
C -2.216392 -0.764926 0.044078
C -1.296147 0.294025 -0.075143
C 0.133589 0.012398 -0.023711
C -4.187586 0.917664 0.177455
C 0.575489 -1.371236 0.154292
C -1.814868 1.665060 -0.203685
C -1.764227 -2.111224 0.244757
C -3.138311 1.967446 -0.076381
C 1.125654 1.018268 -0.139885
C -0.408486 -2.411915 0.294691
C 2.511430 0.722421 -0.096863
C 1.960059 -1.667919 0.198898
C 2.944390 -0.659377 0.075734
C 3.513695 1.751011 -0.219268
C 4.356012 -0.947324 0.116926
C 4.868491 1.436833 -0.175285
C 5.294516 0.072367 -0.005464
H -4.267854 -1.228074 0.515210
H -5.050452 1.088162 -0.501666
H -1.108416 2.482945 -0.375579
H -2.510776 -2.906722 0.364477
H -3.483325 3.005864 -0.121162
H 0.835584 2.066195 -0.267154
H -0.068961 -3.442832 0.446906
H 2.274118 -2.710708 0.334260
H -3.524313 -1.443428 -1.935885
H 3.189337 2.790614 -0.348155
H 4.678812 -1.987184 0.247368
H -5.501878 0.655769 1.699679
H 5.621261 2.227137 -0.269301
H 6.365478 -0.155983 0.027185


