%chk=000095219.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095219

0 1
 O    4.568000     -0.4335000       1.393300    
 O   -5.316300      0.3073000      0.8718000    
 C   5.9799999E-02  0.3298000     -7.8999996E-03
 C   0.7650000     -0.9752000     -0.4474000    
 C   -1.397900      0.4051000     -0.5586000    
 C   0.9049000       1.549300     -0.4257000    
 C    2.195100      -1.050800      0.1050000    
 C  -4.3800000E-02  -2.198000     -8.9999998E-04
 C    3.018300      0.1639000     -0.3187000    
 C    2.337800       1.464600      9.7800002E-02
 C   -2.165400     -0.8785000     -0.2722000    
 C   -1.447700      -2.166000     -0.5910000    
 C   -2.121700       1.643800      9.4999997E-03
 C   -3.621900       1.602600     -0.2227000    
 C   -3.423400     -0.9117000      0.1956000    
 C    4.380800      9.7900003E-02  0.2999000    
 C   -4.201600      0.3379000      0.3554000    
 C    5.510000      0.7114000     -0.4832000    
 H   6.3999998E-03  0.3262000       1.091500    
 H   0.8266000     -0.9868000      -1.545300    
 H   -1.351500      0.5095000      -1.651900    
 H   0.4622000       2.475200     -4.3900002E-02
 H   0.9222000       1.630200      -1.519800    
 H    2.683100      -1.968300     -0.2487000    
 H    2.154200      -1.125800       1.200200    
 H  -0.1025000      -2.233600       1.094700    
 H   0.4593000      -3.117800     -0.3227000    
 H    3.133200      0.1384000      -1.410000    
 H    2.907300       2.325900     -0.2716000    
 H    2.328200       1.551400       1.192600    
 H   -2.005900      -3.037000     -0.2269000    
 H   -1.385800      -2.267500      -1.682100    
 H   -1.724800       2.556600     -0.4486000    
 H   -1.933100       1.719700       1.089000    
 H   -3.861800       1.641900      -1.290700    
 H   -4.090800       2.461900      0.2687000    
 H   -3.938200      -1.843300      0.4035000    
 H    5.619500      0.1921000      -1.438500    
 H    5.314000       1.773000     -0.6505000    
 H    6.442500      0.6120000      7.9499997E-02


%chk=000095219-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095219

0 1
O 4.720604 -0.443460 1.382318
O -5.495676 0.339877 0.724279
C 0.062592 0.300952 0.020793
C 0.767084 -1.009525 -0.427854
C -1.402879 0.404474 -0.528247
C 0.910012 1.533872 -0.385655
C 2.216182 -1.084877 0.108010
C -0.052167 -2.241357 0.012724
C 3.060340 0.137752 -0.314553
C 2.356521 1.451635 0.149962
C -2.192835 -0.880127 -0.269536
C -1.486596 -2.189605 -0.565653
C -2.130946 1.649099 0.047077
C -3.648993 1.642717 -0.228361
C -3.495360 -0.868245 0.161624
C 4.478866 0.102156 0.271683
C -4.305752 0.360465 0.282604
C 5.577530 0.776102 -0.542650
H -0.001239 0.276898 1.132365
H 0.808343 -1.004616 -1.542037
H -1.321462 0.518240 -1.636000
H 0.446473 2.463544 -0.007192
H 0.927127 1.610757 -1.493928
H 2.696013 -2.015724 -0.253298
H 2.212372 -1.145887 1.213622
H -0.095389 -2.276015 1.120087
H 0.448428 -3.171324 -0.320045
H 3.140803 0.176088 -1.421954
H 2.929903 2.338383 -0.183655
H 2.344458 1.468711 1.258074
H -2.092073 -3.040156 -0.203117
H -1.412728 -2.298770 -1.670276
H -1.689562 2.572591 -0.369327
H -1.963869 1.676838 1.143215
H -3.835539 1.701636 -1.321464
H -4.153506 2.509969 0.232266
H -4.018187 -1.808222 0.381991
H 5.846345 0.127138 -1.399673
H 5.233364 1.738346 -0.964353
H 6.475697 0.933471 0.074633


