%chk=000038868.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038868

0 1
 O   -2.318000       2.443800     -0.5115000    
 O   2.3399999E-02  -2.505800      0.1739000    
 O  -0.1638000       3.488900      0.2495000    
 C   -2.447900      6.3000001E-02 -0.6126000    
 C   -3.859800      0.1334000      -1.093900    
 C   -1.727400       1.225700     -0.3385000    
 C  -0.4096000       1.139900      0.1108000    
 C   0.1756000     -0.1076000      0.2821000    
 C   -1.850700      -1.185300     -0.4371000    
 C  -0.5331000      -1.271100      1.2100000E-02
 C   -4.864100      0.1308000      3.1599998E-02
 C   -5.827200     -0.7765000      0.2830000    
 C    1.566500     -0.2124000      0.7561000    
 C   0.3274000       2.369900      0.3923000    
 C   -6.798100     -0.7166000       1.428000    
 C   -6.007700      -1.966300     -0.6220000    
 C    2.650400     -0.2196000     -3.5900000E-02
 C    3.998900     -0.3163000      0.4824000    
 C    5.086500     -0.3240000     -0.3042000    
 C    6.430800     -0.4215000      0.2205000    
 C    7.572300     -0.4365000     -0.4851000    
 C    8.975700     -0.5358000      1.8600000E-02
 H   -4.024400       1.025700      -1.710800    
 H   -4.029600     -0.6822000      -1.804600    
 H   -2.406500      -2.096100     -0.6472000    
 H   -4.792700      0.9782000      0.7129000    
 H    1.669900     -0.2852000       1.836800    
 H    1.363000       2.289500      0.7558000    
 H   -6.646800      0.1807000       2.037100    
 H   -7.827100     -0.6978000       1.054800    
 H   -6.676100      -1.587400       2.080000    
 H   -5.081100      -2.307600      -1.089100    
 H   -6.379900      -2.824000     -4.9699999E-02
 H   -6.741900      -1.740500      -1.401700    
 H   -3.282300       2.372400     -0.4404000    
 H    2.531300     -0.1467000      -1.114300    
 H   0.9230000      -2.440600      0.5309000    
 H    4.107900     -0.3851000       1.562600    
 H    4.984200     -0.2555000      -1.384600    
 H    6.512800     -0.4894000       1.304300    
 H    7.495800     -0.3689000      -1.570000    
 H    9.008400     -0.6017000       1.110500    
 H    9.459500      -1.426100     -0.3940000    
 H    9.547400      0.3444000     -0.2897000    


%chk=000038868-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038868

0 1
O -3.072559 1.323347 0.045021
O 0.945595 -2.601337 0.295385
O -1.106066 3.210989 0.567186
C -2.374763 -1.022049 -0.106305
C -3.795635 -1.468987 -0.447753
C -2.068426 0.360227 0.103971
C -0.723785 0.786818 0.319603
C 0.340875 -0.186582 0.357646
C -1.328805 -1.958278 -0.041740
C 0.006883 -1.561484 0.188639
C -4.872431 -0.889708 0.463745
C -6.084153 -0.364503 0.099884
C 1.738747 0.193731 0.666555
C -0.343849 2.216601 0.429005
C -7.064240 0.119426 1.155705
C -6.568805 -0.217757 -1.331822
C 2.857220 -0.287381 0.011884
C 4.219055 0.053799 0.373919
C 5.332379 -0.396690 -0.305159
C 6.701184 -0.057380 0.044868
C 7.802266 -0.506677 -0.637679
C 9.231089 -0.168433 -0.298756
H -4.013036 -1.212932 -1.503486
H -3.830964 -2.574286 -0.386686
H -1.531744 -3.027697 -0.162093
H -4.649770 -0.966000 1.538892
H 1.899561 0.888673 1.502665
H 0.762622 2.376498 0.360034
H -6.667085 -0.006104 2.177151
H -7.309338 1.189535 1.008900
H -8.020083 -0.436289 1.086186
H -5.816695 -0.502388 -2.084896
H -7.464451 -0.848858 -1.495661
H -6.878422 0.826004 -1.533204
H -3.970490 0.874674 0.085966
H 2.727682 -0.913888 -0.884726
H 1.816328 -2.231123 0.604807
H 4.357295 0.715721 1.242526
H 5.189289 -1.056946 -1.175140
H 6.846456 0.603247 0.913255
H 7.646402 -1.166300 -1.506053
H 9.296469 0.493037 0.582644
H 9.819586 -1.083507 -0.087996
H 9.733511 0.337432 -1.147186


