%chk=000005756.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005756

0 1
 O   -4.762000       1.460700     -0.3529000    
 O   -4.926700      -1.486700      0.8742000    
 O    6.114500     -2.4800001E-02 -0.3375000    
 C   -2.383000      0.7939000     -0.2188000    
 C   -1.776500     -0.5484000      0.2415000    
 C  -0.3014000     -0.6766000     -0.1394000    
 C   0.4977000      0.4622000      0.5642000    
 C   -3.834700      0.5771000      0.2524000    
 C   -1.636700       1.924300      0.5007000    
 C   -2.774100      -1.589400     -0.2683000    
 C   -4.139800     -0.8837000     -0.1447000    
 C  -0.1170000       1.854200      0.2570000    
 C   0.2952000      -2.025700      0.2669000    
 C   -2.337600       1.038900      -1.747900    
 C    1.993800      0.3401000      0.2870000    
 C    1.719800      -2.144300     -0.2665000    
 C    2.558600     -0.9066000     -6.1700001E-02
 C    2.857600       1.436700      0.4564000    
 C    3.943700      -1.011700     -0.2798000    
 C    4.232900       1.316300      0.2449000    
 C    4.775800      9.3599997E-02 -0.1275000    
 H   -1.826300     -0.5962000       1.342400    
 H  -0.1949000     -0.5829000      -1.227900    
 H   0.3978000      0.3151000       1.651000    
 H   -3.917100      0.7134000       1.338400    
 H   -1.815600       1.861800       1.582100    
 H   -2.016200       2.902900      0.1828000    
 H   -2.569300      -1.832400      -1.317100    
 H   -2.725600      -2.517600      0.3101000    
 H   -4.705100     -0.9541000      -1.079800    
 H   0.1095000       2.139300     -0.7774000    
 H   0.3441000       2.619800      0.8917000    
 H  -0.2991000      -2.858000     -0.1261000    
 H   0.2963000      -2.122600       1.360400    
 H   -1.318500       1.057200      -2.143000    
 H   -2.883700      0.2757000      -2.311000    
 H   -2.790300       2.006100      -1.996000    
 H    1.681000      -2.348800      -1.344200    
 H    2.202700      -3.004000      0.2138000    
 H   -5.650700       1.196600     -5.9700001E-02
 H   -4.406100      -1.489300       1.695700    
 H    2.480600       2.407300      0.7641000    
 H    4.374300      -1.968000     -0.5698000    
 H    4.867800       2.188000      0.3796000    
 H    6.535000      0.8391000     -0.1865000    


%chk=000005756-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005756

0 1
O -4.769710 1.580774 -0.245774
O -5.227615 -1.487978 0.656062
O 6.214851 -0.059383 -0.323609
C -2.386618 0.806429 -0.194684
C -1.769926 -0.556363 0.271263
C -0.291768 -0.689457 -0.127649
C 0.507839 0.464225 0.557693
C -3.843918 0.582386 0.280420
C -1.618924 1.950890 0.505334
C -2.800929 -1.624524 -0.188780
C -4.173803 -0.871992 -0.171026
C -0.092099 1.864254 0.231383
C 0.336549 -2.043208 0.265569
C -2.372647 1.007534 -1.734353
C 2.016279 0.348015 0.279152
C 1.761842 -2.156960 -0.309762
C 2.604544 -0.901938 -0.088505
C 2.876600 1.464041 0.437973
C 4.001938 -0.996187 -0.280157
C 4.271119 1.374107 0.246146
C 4.833569 0.128824 -0.115835
H -1.791612 -0.538600 1.386929
H -0.205634 -0.582646 -1.230460
H 0.365504 0.310847 1.654251
H -3.861406 0.606469 1.398253
H -1.795768 1.887870 1.600135
H -2.003160 2.934737 0.174834
H -2.572636 -1.993816 -1.205655
H -2.828339 -2.509585 0.472974
H -4.636942 -0.845580 -1.171499
H 0.126977 2.116486 -0.824512
H 0.407541 2.639159 0.843035
H -0.281000 -2.882929 -0.106854
H 0.363124 -2.123678 1.372198
H -1.359623 1.224409 -2.112607
H -2.746801 0.123032 -2.280591
H -3.028402 1.856906 -1.990864
H 1.692429 -2.345440 -1.401718
H 2.284749 -3.033346 0.118904
H -5.691055 1.302601 -0.010316
H -4.877340 -1.612550 1.575520
H 2.458101 2.434778 0.721663
H 4.461912 -1.950906 -0.558356
H 4.906020 2.259972 0.378873
H 6.706891 0.786824 -0.181199


