%chk=000025045.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025045

0 1
 O    5.396900      -1.339000      0.4518000    
 C   0.2138000     -0.2533000     -0.2322000    
 C   -1.085300      0.4731000      0.1308000    
 C    1.472700      0.5364000      0.1334000    
 C   -2.341900     -0.3482000     -0.1679000    
 C    2.740300     -0.2429000     -0.2280000    
 C   -3.641600      0.3839000      0.1833000    
 C    3.997900      0.5620000      0.1027000    
 C   -4.936500     -0.3786000     -0.1136000    
 C    5.297600     -0.1353000     -0.3098000    
 C   -6.200500      0.4208000      0.2040000    
 C    6.542500      0.7041000     -5.4400001E-02
 C   -7.455700     -0.3830000     -0.1001000    
 H   0.2165000     -0.4663000      -1.308300    
 H   0.2360000      -1.222100      0.2823000    
 H   -1.069800      0.7265000       1.198000    
 H   -1.131700       1.421100     -0.4192000    
 H    1.469700      0.7564000       1.207800    
 H    1.464700       1.497700     -0.3943000    
 H   -2.300700      -1.291300      0.3905000    
 H   -2.356400     -0.6108000      -1.232800    
 H    2.730900     -0.4805000      -1.298600    
 H    2.751600      -1.195400      0.3149000    
 H   -3.663700       1.334900     -0.3641000    
 H   -3.623200      0.6422000       1.249700    
 H    3.943400       1.535500     -0.4004000    
 H    4.012500      0.7575000       1.182800    
 H   -4.939300      -1.311400      0.4639000    
 H   -4.946000     -0.6632000      -1.173100    
 H    5.257600     -0.4137000      -1.368300    
 H   -6.212200       1.345900     -0.3835000    
 H   -6.202200      0.7073000       1.261900    
 H    6.633000      0.9606000       1.006800    
 H    7.443600      0.1417000     -0.3213000    
 H    6.520800       1.629600     -0.6374000    
 H   -8.348200      0.2058000      0.1335000    
 H   -7.498200     -0.6589000      -1.158500    
 H   -7.488200      -1.300400      0.4963000    
 H    5.454600      -1.096300       1.391700    


%chk=000025045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025045

0 1
O 5.446759 -1.410166 0.562758
C 0.200836 -0.254861 -0.221886
C -1.100559 0.483138 0.165134
C 1.481606 0.537706 0.124013
C -2.380874 -0.312346 -0.175703
C 2.779462 -0.198770 -0.275666
C -3.682783 0.431648 0.198720
C 4.058016 0.600001 0.056168
C -4.963516 -0.365009 -0.137976
C 5.360291 -0.171492 -0.250648
C -6.265382 0.383410 0.229562
C 6.624239 0.686946 -0.064471
C -7.539604 -0.420772 -0.108159
H 0.187978 -0.472255 -1.310601
H 0.230755 -1.239318 0.290000
H -1.086551 0.705253 1.253006
H -1.131560 1.465471 -0.351511
H 1.498527 0.745693 1.214868
H 1.446349 1.527184 -0.379370
H -2.354556 -1.290880 0.348008
H -2.390616 -0.542440 -1.261889
H 2.757780 -0.413129 -1.364781
H 2.828390 -1.181314 0.233454
H -3.710144 1.408548 -0.328305
H -3.671927 0.665220 1.284242
H 4.062226 1.549935 -0.517423
H 4.055922 0.884637 1.131371
H -4.940590 -1.339679 0.393249
H -4.973534 -0.603372 -1.222438
H 5.320844 -0.562862 -1.284038
H -6.288090 1.356250 -0.302878
H -6.253902 0.622642 1.312755
H 6.671588 1.104301 0.961008
H 7.528847 0.077262 -0.233113
H 6.637942 1.535904 -0.773027
H -8.455663 0.134235 0.166442
H -7.591444 -0.644527 -1.190604
H -7.553621 -1.385581 0.433426
H 5.511859 -1.144212 1.516604


