%chk=000017942.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017942

0 1
 O  -0.4621000     -0.5707000       1.485400    
 C    1.816700      -1.369900     -9.0200000E-02
 C    2.174000      8.9100003E-02 -0.3897000    
 C   0.3749000      -1.704500     -0.4715000    
 C    3.610400      0.4052000      2.8300000E-02
 C  -0.6466000     -0.9062000      0.3189000    
 C    3.960400       1.860400     -0.2392000    
 C   -1.924800     -0.6096000     -0.3888000    
 C   -2.677900      0.4864000     -0.1908000    
 C   -3.968700      0.8076000     -0.8911000    
 C   -2.256300       1.512300      0.8287000    
 H    1.973000      -1.573900      0.9761000    
 H    2.492200      -2.032400     -0.6447000    
 H    2.050900      0.2835000      -1.462100    
 H    1.493000      0.7653000      0.1393000    
 H   0.1803000      -2.766600     -0.2848000    
 H   0.2331000      -1.520000      -1.542600    
 H    3.742600      0.1957000       1.096200    
 H    4.307700     -0.2403000     -0.5183000    
 H    4.991800       2.064200      6.4999998E-02
 H    3.867100       2.096800      -1.304000    
 H    3.302100       2.531900      0.3212000    
 H   -2.217900      -1.329200      -1.148500    
 H   -3.876300       1.739900      -1.457000    
 H   -4.781000      0.9144000     -0.1650000    
 H   -4.249100      1.5699999E-02  -1.593600    
 H   -1.176000       1.687200      0.8332000    
 H   -2.708300       2.485000      0.6019000    
 H   -2.589900       1.220100       1.829400    


%chk=000017942-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000017942

0 1
O -0.307142 0.263161 1.184312
C 1.816605 -1.171619 -0.072975
C 2.523209 0.146878 -0.463816
C 0.373414 -1.272347 -0.601462
C 3.975200 0.225652 0.059066
C -0.633321 -0.362423 0.124880
C 4.685144 1.539362 -0.333543
C -1.983633 -0.303829 -0.483539
C -3.034444 0.488340 -0.082210
C -4.355575 0.434331 -0.823506
C -2.978719 1.444813 1.090957
H 1.797821 -1.252806 1.030980
H 2.405678 -2.029258 -0.456380
H 2.528368 0.251170 -1.570067
H 1.943690 0.999956 -0.061570
H -0.006720 -2.312377 -0.501080
H 0.334427 -1.048299 -1.688085
H 3.966499 0.124695 1.163424
H 4.552686 -0.639097 -0.328881
H 5.719122 1.575124 0.056841
H 4.734801 1.650520 -1.433538
H 4.141363 2.415586 0.067068
H -2.133239 -0.957698 -1.354842
H -4.585910 1.419906 -1.274565
H -5.184050 0.213758 -0.121686
H -4.361119 -0.325741 -1.622674
H -1.976128 1.883087 1.213142
H -3.742324 2.237042 0.990769
H -3.180403 0.899512 2.034681


