%chk=000005858.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005858

0 1
 O   -4.668500      0.8751000     -0.6935000    
 O    6.077300      0.1811000       1.022600    
 C   -2.234300      0.4752000     -0.4998000    
 C   -1.479000     -0.7486000      6.3500002E-02
 C  -3.2900002E-02 -0.8374000     -0.4350000    
 C   0.7330000      0.4475000     -3.5000001E-03
 C   -3.662200      0.2197000      7.5000003E-02
 C   -1.503300       1.738800     -1.7200001E-02
 C   -2.421500      -1.912200     -0.2250000    
 C  -1.7999999E-02   1.736500     -0.4226000    
 C   -3.833100      -1.315700     -7.2099999E-02
 C    2.206000      0.4213000     -0.5149000    
 C   0.6859000      -2.078000      0.1109000    
 C   -2.300200      0.5026000      -2.054900    
 C   -3.877900      0.6445000       1.532900    
 C    2.114200      -2.150400     -0.4176000    
 C    2.892500     -0.8872000     -0.1447000    
 C    2.982400       1.644700      1.4600000E-02
 C    4.483100       1.511600     -0.1749000    
 C   -5.255800      0.2480000       2.019000    
 C    4.134500     -0.9643000      0.3593000    
 C    4.977800      0.2473000      0.4779000    
 H   -1.420800     -0.6615000       1.159100    
 H  -2.4800001E-02 -0.9104000      -1.529400    
 H   0.7655000      0.4511000       1.097400    
 H   -1.542700       1.814100       1.075900    
 H   -1.991600       2.639200     -0.4086000    
 H   -2.264700      -2.742700      0.4713000    
 H   -2.280000      -2.302200      -1.239300    
 H   7.6899998E-02   1.886100      -1.504100    
 H   0.4496000       2.609400      4.7300000E-02
 H   -4.431200      -1.571400     -0.9556000    
 H   -4.321000      -1.805400      0.7716000    
 H    2.192800      0.4754000      -1.612800    
 H   0.1546000      -2.988500     -0.1892000    
 H   0.6949000      -2.059800       1.208300    
 H   -1.314400      0.5062000      -2.526200    
 H   -2.842500     -0.3549000      -2.465800    
 H   -2.816200       1.406100      -2.400800    
 H   -3.805000       1.736200       1.610800    
 H   -3.127600      0.2157000       2.204300    
 H    2.090100      -2.312700      -1.502900    
 H    2.608600      -3.027000      1.8200001E-02
 H    2.772100       1.781500       1.084100    
 H    2.646600       2.554500     -0.4960000    
 H   -5.494700      0.3676000     -0.6317000    
 H    4.986400       2.367300      0.2879000    
 H    4.750800       1.485800      -1.236700    
 H   -6.060600      0.6291000       1.384300    
 H   -5.387400     -0.8282000       2.146300    
 H   -5.416600      0.6850000       3.012200    
 H    4.591500      -1.910600      0.6273000    


%chk=000005858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005858

0 1
O -4.662071 0.922561 -0.789775
O 6.222676 0.239749 1.003794
C -2.254184 0.434199 -0.514294
C -1.484124 -0.806805 0.037908
C -0.023245 -0.879552 -0.449917
C 0.725125 0.417810 -0.010532
C -3.704687 0.164515 0.049836
C -1.525004 1.710005 -0.026307
C -2.429821 -1.999779 -0.254414
C -0.029939 1.704059 -0.450256
C -3.868520 -1.392559 -0.134899
C 2.217842 0.430343 -0.497376
C 0.712926 -2.123730 0.091501
C -2.334450 0.439922 -2.067804
C -3.896324 0.607147 1.529039
C 2.176495 -2.162640 -0.410271
C 2.929696 -0.874330 -0.136603
C 2.977094 1.668942 0.049409
C 4.506271 1.574062 -0.132573
C -5.316320 0.381111 2.099612
C 4.203896 -0.901846 0.371977
C 5.065306 0.292207 0.484189
H -1.430408 -0.689042 1.144192
H -0.015520 -0.937848 -1.560441
H 0.749134 0.406320 1.104240
H -1.563511 1.768114 1.079384
H -2.023363 2.617925 -0.418198
H -2.274721 -2.836406 0.449833
H -2.250141 -2.394116 -1.272919
H 0.056711 1.819394 -1.549519
H 0.458875 2.591376 -0.006458
H -4.455747 -1.579700 -1.052017
H -4.422816 -1.844487 0.707204
H 2.189039 0.491706 -1.611651
H 0.192677 -3.047079 -0.226669
H 0.697569 -2.107420 1.200981
H -1.335906 0.496933 -2.533582
H -2.837569 -0.460839 -2.459017
H -2.924952 1.308639 -2.401117
H -3.664383 1.685995 1.601112
H -3.166079 0.073303 2.167687
H 2.153782 -2.319812 -1.511412
H 2.722199 -3.021895 0.020927
H 2.749307 1.770525 1.130431
H 2.607614 2.585184 -0.444669
H -5.575457 0.763921 -0.441750
H 5.026623 2.440744 0.311555
H 4.758982 1.562979 -1.213900
H -6.073992 1.000190 1.580454
H -5.633895 -0.675898 2.037548
H -5.349884 0.673915 3.164420
H 4.665795 -1.852913 0.668310


