%chk=000041317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041317

0 1
 O   -6.889600      0.4214000      -1.052200    
 O    8.577300       1.117900      -1.762300    
 O    8.699200     -0.5144000     -0.1782000    
 C   -3.717900      -1.149700     -9.5299996E-02
 C   -3.076000     -6.2799998E-02  0.4833000    
 C   -5.003300     -0.9933000     -0.6142000    
 C   -3.695800       1.177700      0.5525000    
 C   -5.634900      0.2488000     -0.5498000    
 C   -4.981100       1.334200      3.3599999E-02
 C   -3.051800      -2.489600     -0.1708000    
 C   -1.719000     -0.2247000       1.032700    
 C   -5.712500      -2.151200      -1.241600    
 C   -3.029500       2.365600       1.169900    
 C  -0.5833000     -2.5200000E-02  0.3432000    
 C   0.7625000     -0.1954000      0.8874000    
 C   -7.457600       1.724900     -0.9431000    
 C   0.7603000     -0.6732000       2.315800    
 C    1.855000      2.5300000E-02  0.1279000    
 C    3.242700     -0.1263000      0.5218000    
 C    4.264200      0.1207000     -0.3165000    
 C    5.695800     -6.5000001E-03 -2.0199999E-02
 C    6.076800     -0.4368000       1.373100    
 C    6.571900      0.2897000      -1.001500    
 C    8.046600      0.2227000     -0.8954000    
 H   -5.424200       2.321400      0.1089000    
 H   -3.762000      -3.307800     -1.2900000E-02
 H   -2.576600      -2.616600      -1.149100    
 H   -2.290800      -2.634200      0.6021000    
 H   -1.729200     -0.5290000       2.075100    
 H   -6.041100      -2.857000     -0.4717000    
 H   -6.599200      -1.847100      -1.807000    
 H   -5.065100      -2.667900      -1.958300    
 H   -2.162800       2.671300      0.5747000    
 H   -3.702300       3.228100       1.231000    
 H   -2.708900       2.143300       2.193300    
 H  -0.6505000      0.2834000     -0.6986000    
 H   -6.887600       2.464200      -1.516200    
 H   -7.595500       2.020100      0.1028000    
 H   -8.455400       1.678800      -1.392100    
 H   0.2847000      5.9400000E-02   2.977900    
 H   0.2526000      -1.640000       2.412400    
 H    1.765700     -0.8254000       2.716000    
 H    1.705800      0.3551000     -0.9005000    
 H    3.442900     -0.4580000       1.533400    
 H    4.025000      0.4489000      -1.328400    
 H    7.148100     -0.3825000       1.573300    
 H    5.761100      -1.469800       1.554700    
 H    5.605400      0.2118000       2.120500    
 H    6.206700      0.6295000      -1.969500    
 H    9.558200       1.111600      -1.741900    


%chk=000041317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041317

0 1
O -7.097184 0.606660 -0.770870
O 8.803787 2.086495 -1.050867
O 8.930849 0.301607 0.431294
C -4.062053 -1.262647 0.204236
C -3.040276 -0.236656 0.185983
C -5.410572 -0.971364 -0.118661
C -3.417215 1.107134 -0.151248
C -5.745547 0.372642 -0.460641
C -4.765190 1.387326 -0.467523
C -3.679722 -2.696027 0.552484
C -1.676928 -0.629014 0.570808
C -6.503722 -2.028720 -0.113813
C -2.452599 2.282392 -0.139443
C -0.465907 -0.072084 0.205061
C 0.839826 -0.536546 0.657018
C -7.495895 1.970383 -1.124297
C 0.913283 -1.702076 1.627551
C 1.972890 0.120172 0.174877
C 3.349573 -0.161222 0.485383
C 4.411466 0.552871 -0.048601
C 5.819387 0.311738 0.234525
C 6.204160 -0.807690 1.185225
C 6.749990 1.134112 -0.388946
C 8.205150 1.077420 -0.253634
H -5.038101 2.419469 -0.708156
H -3.409975 -2.797374 1.622719
H -4.505894 -3.396339 0.361234
H -2.809567 -3.036284 -0.037168
H -1.622658 -1.511993 1.219939
H -6.584824 -2.524844 0.871001
H -7.476374 -1.572595 -0.347914
H -6.310164 -2.817041 -0.865999
H -1.846605 2.330999 -1.064978
H -3.007794 3.233721 -0.067115
H -1.748414 2.229297 0.709323
H -0.444569 0.763090 -0.503952
H -6.965481 2.323229 -2.029809
H -7.312105 2.673159 -0.288638
H -8.575425 1.909880 -1.326703
H 0.383215 -1.465622 2.569460
H 0.429655 -2.600913 1.199500
H 1.947909 -1.973588 1.885126
H 1.802796 0.953521 -0.525009
H 3.571194 -0.979986 1.181098
H 4.185125 1.374171 -0.745288
H 7.295164 -0.877407 1.295858
H 5.820644 -1.777469 0.815739
H 5.756070 -0.637109 2.182515
H 6.393524 1.922671 -1.061595
H 9.790102 2.019852 -0.937089


