%chk=000126118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126118

0 1
 O    3.567800       2.209900      -2.060000    
 O    1.382400     -0.8092000      -1.788300    
 O    5.126400      -2.504600       2.272400    
 O    2.462700       3.246400      0.4574000    
 O   -1.004700      -1.663700      -1.563900    
 O   -2.392400       2.475100       1.518900    
 O   -3.361200      -2.656200      -1.444200    
 O   -6.586000     -0.2939000       1.097900    
 C    3.318900       1.101400      -1.185800    
 C    4.403000       1.101000     -8.8399999E-02
 C    4.208700     -1.6200000E-02  0.9414000    
 C    1.917300       1.204600     -0.6727000    
 C    4.335600      -1.394800      0.2909000    
 C  -0.3327000      0.3268000     -0.5115000    
 C   0.9771000      0.2259000     -0.9958000    
 C  -0.6957000       1.407600      0.2948000    
 C    4.113600      -2.554900       1.267200    
 C    1.554900       2.283200      0.1317000    
 C   0.2508000       2.387700      0.6165000    
 C   -1.321300     -0.7144000     -0.8586000    
 C   -2.699600     -0.5957000     -0.3409000    
 C   -3.062700      0.4852000      0.4655000    
 C   -2.074000       1.526400      0.8126000    
 C    4.192900      -3.924400      0.6081000    
 C   -3.646300      -1.575600     -0.6629000    
 C   -4.372500      0.5861000      0.9498000    
 C   -5.312700     -0.3925000      0.6263000    
 C   -4.950400      -1.471100     -0.1783000    
 H    3.465900      0.2197000      -1.815200    
 H    5.383100      0.9885000     -0.5720000    
 H    4.470700       2.064400      0.4261000    
 H    3.243500      7.9000004E-02   1.450200    
 H    4.979000      9.2100002E-02   1.714500    
 H    3.616100      -1.508800     -0.5234000    
 H    5.338300      -1.480300     -0.1475000    
 H    3.141700      -2.440400       1.760800    
 H  -2.0900000E-02   3.233200       1.243700    
 H    2.815400       2.288200      -2.671400    
 H    5.181100      -4.088700      0.1647000    
 H    4.042300      -4.718600       1.347300    
 H    3.435600      -4.030100     -0.1746000    
 H   -4.667100       1.422900       1.578500    
 H   0.6732000      -1.457800      -1.905400    
 H   -5.686800      -2.231400     -0.4275000    
 H    4.939800      -3.211600       2.913600    
 H    2.033400       3.911100       1.022800    
 H   -2.436200      -2.639300      -1.731300    
 H   -6.661900      0.5121000       1.636900    


%chk=000126118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126118

0 1
O 3.674854 2.270777 -2.018846
O 1.307712 -0.809935 -1.694715
O 5.591895 -2.446397 2.133184
O 2.426252 3.308990 0.529445
O -1.040289 -1.686689 -1.559688
O -2.574246 2.651912 1.513933
O -3.387108 -2.641857 -1.453815
O -6.781238 -0.306601 0.965748
C 3.325250 1.113927 -1.157925
C 4.424093 1.046250 -0.077275
C 4.267134 -0.123638 0.920862
C 1.905221 1.255766 -0.612982
C 4.364640 -1.524829 0.274176
C -0.436051 0.377525 -0.478552
C 0.925571 0.269088 -0.930489
C -0.817529 1.504124 0.314180
C 4.375955 -2.660063 1.309615
C 1.477533 2.350685 0.186026
C 0.135109 2.478408 0.640240
C -1.407499 -0.644725 -0.819552
C -2.777715 -0.538548 -0.355821
C -3.195125 0.574262 0.441439
C -2.221077 1.652640 0.809199
C 4.392758 -4.057519 0.664801
C -3.738969 -1.558126 -0.691969
C -4.520779 0.671490 0.890675
C -5.451917 -0.349362 0.546912
C -5.073231 -1.455651 -0.236047
H 3.346746 0.190014 -1.765101
H 5.389274 0.953450 -0.611959
H 4.437968 2.008283 0.462159
H 3.299961 -0.032488 1.458581
H 5.060936 -0.046178 1.686006
H 3.517971 -1.694585 -0.419073
H 5.298896 -1.592234 -0.319428
H 3.476300 -2.565392 1.961173
H -0.182629 3.328210 1.257208
H 3.074315 2.266392 -2.808125
H 5.293544 -4.176355 0.035628
H 4.398091 -4.857650 1.430721
H 3.500493 -4.209197 0.029493
H -4.804159 1.538413 1.499527
H 0.465618 -1.409155 -1.824615
H -5.799103 -2.230161 -0.491946
H 5.672350 -3.189565 2.783374
H 2.018640 4.043896 1.053996
H -2.385563 -2.543112 -1.689195
H -6.964748 0.499807 1.509720


