%chk=000127695.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127695

0 1
 O   -1.071300       2.453200      0.4988000    
 O    1.666600       1.999200     -0.3205000    
 O    2.617100     -0.5904000      0.3689000    
 O   0.8184000      -2.713700     -0.4643000    
 O   -3.798000     -0.7088000      0.2638000    
 O  -0.3101000       3.712200      -1.282300    
 O    3.123100       1.833200       1.465000    
 O    3.281800      -1.793000      -1.488200    
 O  -2.6200000E-02  -3.940800       1.301400    
 O   -5.656800      0.2364000     -0.7306000    
 C   -1.552500      0.1064000      0.2671000    
 C  -0.6229000       1.259100     -0.1447000    
 C   0.8308000      0.9936000      0.2604000    
 C   -1.036800      -1.227200     -0.2784000    
 C    1.337100     -0.3647000     -0.2284000    
 C   0.3968000      -1.504300      0.1643000    
 C   -2.988600      0.3520000     -0.2044000    
 C  -0.8485000       3.610800     -0.1881000    
 C    2.782500       2.319300      0.3951000    
 C    3.491500      -1.323000     -0.3781000    
 C   0.5405000      -3.861900      0.2199000    
 C   -5.126000     -0.6470000     -7.1099997E-02
 C   -1.368100       4.773200      0.6024000    
 C    3.556500       3.378200     -0.3299000    
 C    4.781700      -1.477500      0.3685000    
 C    1.037300      -5.044300     -0.5556000    
 C   -5.855900      -1.830000      0.4890000    
 H   -1.575400      3.9999999E-02   1.364300    
 H  -0.6836000       1.374500      -1.236200    
 H   0.8937000       1.053800       1.356000    
 H   -1.680000      -2.052800      4.9699999E-02
 H   -1.089500      -1.235200      -1.375800    
 H    1.443600     -0.3199000      -1.321400    
 H   0.4404000      -1.612900       1.256800    
 H   -3.366500       1.297600      0.2013000    
 H   -3.030300      0.3957000      -1.299600    
 H  -0.8417000       4.835500       1.558200    
 H   -1.191200       5.698200      4.6200000E-02
 H   -2.443700       4.662300      0.7608000    
 H    3.873100       3.002000      -1.306000    
 H    4.447100       3.637300      0.2498000    
 H    2.941500       4.274600     -0.4430000    
 H    5.225400     -0.4950000      0.5483000    
 H    5.478600      -2.070700     -0.2305000    
 H    4.603300      -1.998700       1.312300    
 H    2.119300      -4.969900     -0.6912000    
 H   0.8180000      -5.960700     -9.9999997E-05
 H   0.5301000      -5.092700      -1.522400    
 H   -5.780700      -1.828800       1.579200    
 H   -6.912200      -1.769500      0.2119000    
 H   -5.439000      -2.751600      7.5199999E-02


%chk=000127695-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127695

0 1
O -0.860066 2.462350 0.336310
O 1.807501 1.794071 -0.512431
O 2.438692 -0.996008 0.686428
O 0.752916 -2.887971 -0.700297
O -3.946046 -0.554803 -0.384647
O -1.671976 3.407821 -1.641856
O 3.040655 2.070961 1.457217
O 4.073353 -0.446274 -0.895259
O -0.561502 -4.176201 0.735767
O -4.450053 0.423466 1.675780
C -1.573055 0.113541 -0.082400
C -0.515824 1.200560 -0.377550
C 0.883779 0.825668 0.139005
C -1.086938 -1.222281 -0.694242
C 1.340654 -0.603514 -0.237090
C 0.238049 -1.650274 -0.047463
C -2.949678 0.521351 -0.641796
C -1.416287 3.509057 -0.422035
C 2.867345 2.325584 0.245802
C 3.767368 -0.844699 0.249589
C 0.268804 -4.106407 -0.197463
C -4.631078 -0.491172 0.841957
C -1.661678 4.710118 0.460130
C 3.742291 3.182643 -0.635298
C 4.714471 -1.188877 1.372730
C 0.881536 -5.263726 -0.952257
C -5.565821 -1.670732 0.982361
H -1.669508 0.006817 1.016867
H -0.477803 1.415011 -1.463574
H 0.942744 0.957500 1.235882
H -1.845734 -2.004827 -0.530430
H -0.948481 -1.111704 -1.788596
H 1.723241 -0.613290 -1.274977
H 0.085123 -1.863633 1.027275
H -3.308250 1.453011 -0.174009
H -2.932251 0.625492 -1.738701
H -0.747475 4.969286 1.019781
H -1.986375 5.562262 -0.153692
H -2.443537 4.472629 1.203435
H 4.382539 2.515466 -1.241561
H 4.380481 3.830042 -0.016403
H 3.135266 3.784747 -1.329985
H 4.745536 -0.334909 2.074442
H 5.724035 -1.364012 0.973350
H 4.360157 -2.068749 1.932832
H 1.972768 -5.133753 -1.039454
H 0.649237 -6.206887 -0.437257
H 0.471438 -5.299831 -1.977522
H -4.990205 -2.560979 1.296037
H -6.323723 -1.454483 1.749496
H -6.046336 -1.906157 0.019569


