%chk=000139868.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139868

0 1
 O   -4.387900       1.498200      0.8950000    
 O    4.036700     -0.8355000       2.452600    
 O   -5.763300     -0.6789000      0.1286000    
 O    6.727400      -1.405800      -1.346900    
 O   -6.096100      -2.587800      -1.129600    
 C   -1.333300      0.6426000      0.1165000    
 C  -0.2500000       1.554900     -0.4992000    
 C    1.143600       1.293400      7.8800000E-02
 C    1.533300     -0.1904000     -0.2078000    
 C   -2.573900       1.198100     -0.6176000    
 C  -0.9774000     -0.8096000     -0.2295000    
 C  -0.8523000       2.950500     -0.3782000    
 C   0.4341000      -1.184200      0.2577000    
 C    2.970300     -0.5559000      0.3026000    
 C   -2.353100       2.725200     -0.6359000    
 C    2.195700       2.236800     -0.5162000    
 C   -1.482600      0.7915000       1.653200    
 C    3.980500      0.5031000     -0.1253000    
 C    3.575800       1.947400      6.3400000E-02
 C    3.360200      -1.962700     -0.2188000    
 C   -3.882300      0.8182000      3.4000000E-03
 C    3.022100     -0.5758000       1.814300    
 C    4.850300      -2.263500     -0.1346000    
 C    5.181700      0.2213000     -0.6564000    
 C    5.658800      -1.173500     -0.7852000    
 C   -4.536100     -0.4398000     -0.5276000    
 C   -6.453600      -1.796200     -0.2678000    
 C   -7.728400      -1.921600      0.5103000    
 H  -0.1891000       1.342400      -1.580000    
 H    1.125900       1.467600       1.160600    
 H    1.565100     -0.2839000      -1.305900    
 H   -2.583900      0.8557000      -1.661600    
 H   -1.024800     -0.9614000      -1.315500    
 H   -1.698300      -1.504900      0.2142000    
 H  -0.4253000       3.648700      -1.105200    
 H  -0.6923000       3.372000      0.6203000    
 H   0.4220000      -1.272400       1.348100    
 H   0.6560000      -2.187500     -0.1236000    
 H   -2.942600       3.272900      0.1065000    
 H   -2.633700       3.126500      -1.617000    
 H    1.935200       3.279200     -0.2993000    
 H    2.222400       2.135100      -1.608800    
 H   -2.235900      9.4800003E-02   2.039200    
 H  -0.5564000      0.5726000       2.190900    
 H   -1.789200       1.799500       1.949500    
 H    3.578000       2.178200       1.136200    
 H    4.300600       2.628500     -0.3994000    
 H    3.057300      -2.056900      -1.270900    
 H    2.824700      -2.743700      0.3352000    
 H    2.099900     -0.3105000       2.354800    
 H    5.050400      -3.202300     -0.6639000    
 H    5.192400      -2.387600      0.8966000    
 H    5.865700       1.001300     -0.9735000    
 H   -3.864200      -1.285100     -0.3595000    
 H   -4.715100     -0.3035000      -1.599600    
 H   -8.359600      -1.048100      0.3292000    
 H   -7.503600      -2.020500       1.575100    
 H   -8.267300      -2.815300      0.1828000    


%chk=000139868-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000139868

0 1
O -4.563442 1.008371 0.801938
O 2.962272 0.309136 2.640197
O -5.554050 -1.434622 -0.014463
O 7.037726 -1.212770 -1.182199
O -7.085711 -0.107445 -1.174523
C -1.331577 0.441070 0.084389
C -0.278391 1.449062 -0.483679
C 1.137519 1.249425 0.097743
C 1.596459 -0.205594 -0.226610
C -2.614897 0.967157 -0.686221
C -0.872394 -0.988188 -0.287524
C -0.967183 2.827701 -0.346192
C 0.560066 -1.268629 0.242864
C 3.072961 -0.531224 0.288802
C -2.477611 2.525998 -0.631143
C 2.144429 2.267508 -0.479381
C -1.536637 0.574335 1.617040
C 4.035518 0.597525 -0.119357
C 3.565210 2.020939 0.081937
C 3.536712 -1.896498 -0.295552
C -3.935398 0.447533 -0.130415
C 3.021050 -0.646552 1.833062
C 5.046264 -2.154815 -0.110654
C 5.289446 0.331686 -0.612024
C 5.882293 -1.016335 -0.696287
C -4.473394 -0.828968 -0.797446
C -6.843731 -0.909051 -0.248214
C -7.819524 -1.460144 0.761467
H -0.204868 1.231743 -1.575731
H 1.109706 1.389055 1.197197
H 1.663655 -0.271980 -1.337441
H -2.518089 0.614532 -1.735261
H -0.878709 -1.101616 -1.392714
H -1.558962 -1.753743 0.125784
H -0.557974 3.573006 -1.050286
H -0.830472 3.232607 0.674239
H 0.531159 -1.303881 1.349541
H 0.868735 -2.274226 -0.097713
H -3.131909 2.925889 0.162258
H -2.809445 2.972543 -1.584918
H 1.828645 3.296567 -0.226112
H 2.156716 2.192819 -1.586749
H -2.231029 -0.202726 1.985187
H -0.589602 0.463811 2.171467
H -1.975117 1.548428 1.890696
H 3.537252 2.211630 1.175329
H 4.293462 2.724637 -0.360333
H 3.297989 -1.911899 -1.376862
H 2.964152 -2.720813 0.170091
H 3.009149 -1.701991 2.211961
H 5.356588 -3.103542 -0.581750
H 5.298426 -2.236194 0.967482
H 5.938260 1.156410 -0.933746
H -3.685988 -1.596631 -0.878341
H -4.836714 -0.564204 -1.811700
H -7.707896 -0.898104 1.706387
H -7.607774 -2.519846 0.975611
H -8.848828 -1.337496 0.394175


