%chk=000041880.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041880

0 1
 O   -2.712300      -2.641000      0.5266000    
 O    2.474900       1.099600      0.2105000    
 O   0.4243000     -0.5062000      -1.888500    
 O   -1.849800      -1.686800      -1.390100    
 O    3.311800     -0.1188000      -1.559800    
 O    8.106900      -1.083000      3.6800001E-02
 O    7.099700      3.1099999E-02   1.741700    
 C   -4.152800       2.728000     -0.4326000    
 C   -4.673400       2.153900      0.8889000    
 C   -3.170900       3.889200     -0.2414000    
 C   -5.385500      0.8040000      0.7354000    
 C   -1.834400       3.519100      0.4186000    
 C   -4.426100     -0.2911000      0.2636000    
 C   -1.019300       2.485800     -0.3685000    
 C   -4.963400      -1.702500      0.5121000    
 C   0.3172000       2.186100      0.3272000    
 C   -4.029600      -2.787100     -5.2499998E-02
 C    1.245900       1.273000     -0.4800000    
 C   -4.532200      -4.179100      0.3095000    
 C   0.6558000     -0.1077000     -0.7501000    
 C   0.4441000     -0.9830000      0.4385000    
 C   -1.749700      -2.036800     -0.2271000    
 C    3.435800      0.3756000     -0.4480000    
 C  -0.5768000      -1.822600      0.6536000    
 C    4.671800      0.2837000      0.4207000    
 C    5.831100     -0.4321000     -0.2621000    
 C    7.057000     -0.4513000      0.6174000    
 H   -5.011200       3.088500      -1.013400    
 H   -3.680300       1.957700      -1.047300    
 H   -3.857500       2.027100       1.607700    
 H   -5.369900       2.873600       1.336400    
 H   -2.964200       4.332200      -1.223600    
 H   -3.653100       4.672400      0.3563000    
 H   -5.805500      0.5289000       1.710600    
 H   -6.225800      0.8932000      3.7200000E-02
 H   -1.241500       4.437800      0.5139000    
 H   -2.001200       3.159600       1.439500    
 H   -4.227300     -0.1681000     -0.8068000    
 H   -3.473200     -0.1719000      0.7913000    
 H   -1.584800       1.553500     -0.4641000    
 H  -0.8320000       2.863100      -1.380700    
 H   -5.072500      -1.842400       1.595100    
 H   -5.959300      -1.807000      6.5499999E-02
 H   0.8474000       3.127000      0.5249000    
 H   0.1258000       1.748200       1.315200    
 H   -3.987200      -2.708000      -1.145500    
 H    1.452100       1.754900      -1.445100    
 H   -4.559200      -4.317900       1.396000    
 H   -5.533900      -4.357700     -9.3000002E-02
 H   -3.854800      -4.942800     -8.7899998E-02
 H    1.187000     -0.8862000       1.226400    
 H  -0.5870000      -2.368500       1.595000    
 H    4.398800     -0.2446000       1.341700    
 H    4.973300       1.304700      0.6837000    
 H    6.086700      7.6399997E-02  -1.198400    
 H    5.550500      -1.466300     -0.4903000    
 H    8.894300      -1.098000      0.6217000    


%chk=000041880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041880

0 1
O -3.280028 -2.767584 0.668183
O 2.536758 -0.063704 -0.149157
O 0.267374 -1.404313 -2.225219
O -2.505721 -1.639399 -1.240804
O 3.731696 1.621253 -1.242080
O 8.399555 1.182981 0.951503
O 7.585153 -0.955584 0.561083
C -3.887056 2.720759 -0.483460
C -4.449871 2.389322 0.923331
C -2.675716 3.689245 -0.466154
C -5.384946 1.151164 0.959361
C -1.373636 3.093235 0.130584
C -4.641896 -0.134479 0.531212
C -0.747947 1.944186 -0.699591
C -5.387223 -1.454431 0.822162
C 0.544286 1.412398 -0.032794
C -4.708227 -2.684131 0.178939
C 1.279148 0.352081 -0.872958
C -5.352471 -4.018794 0.557633
C 0.513776 -0.977457 -1.070649
C 0.196720 -1.732237 0.191284
C -2.285950 -2.183470 -0.133576
C 3.704537 0.648222 -0.456857
C -0.982341 -2.295786 0.580603
C 4.891819 0.042698 0.270310
C 6.091689 1.003674 0.303825
C 7.385696 0.278525 0.610442
H -4.697632 3.163831 -1.096960
H -3.589730 1.790021 -1.001025
H -3.610714 2.200485 1.623779
H -4.986795 3.276883 1.315579
H -2.467519 4.026844 -1.502107
H -2.947585 4.598130 0.109686
H -5.783144 1.028530 1.987867
H -6.261041 1.317166 0.298875
H -0.623258 3.904990 0.226537
H -1.565154 2.732191 1.161973
H -4.414118 -0.093303 -0.549080
H -3.663404 -0.156108 1.052910
H -1.473506 1.117379 -0.824476
H -0.515374 2.314585 -1.718817
H -5.479213 -1.614108 1.915212
H -6.418812 -1.403347 0.416312
H 1.245970 2.253761 0.127267
H 0.305963 0.989829 0.963314
H -4.659925 -2.551519 -0.918783
H 1.559185 0.752441 -1.864211
H -5.323040 -4.171537 1.650967
H -6.408988 -4.031194 0.233439
H -4.830869 -4.861485 0.072879
H 1.052355 -1.801912 0.878002
H -1.032912 -2.828228 1.537077
H 5.178436 -0.890958 -0.252260
H 4.582621 -0.266562 1.283459
H 5.952517 1.817659 1.036285
H 6.198870 1.503282 -0.678858
H 9.246241 0.683285 1.110400


