%chk=000158160.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158160

0 1
 O  -0.2909000     -0.7039000      6.0199998E-02
 O    1.283000      -2.074000       1.057300    
 O   -6.302100      0.7908000     -0.8214000    
 C    2.486000      0.9520000      0.2694000    
 C    3.355200     -0.2581000      0.2322000    
 C    1.984300     -0.3188000     -0.3512000    
 C    1.962800       1.363000       1.604800    
 C    2.753000       2.101400     -0.6447000    
 C    4.502300     -0.3071000     -0.6944000    
 C   0.9694000      -1.136200      0.3382000    
 C    5.751200      0.1513000     -0.4845000    
 C    6.814400      2.3399999E-02  -1.539700    
 C    6.194200      0.8166000      0.7879000    
 C   -1.345100      -1.440900      0.6879000    
 C   -2.663600     -0.8476000      0.2867000    
 C   -3.314100      -1.319600     -0.8476000    
 C   -3.221900      0.1693000       1.053000    
 C   -4.539400     -0.7672000      -1.220700    
 C   -4.447400      0.7214000      0.6798000    
 C   -5.106100      0.2533000     -0.4570000    
 C   -6.824900       1.830900      3.8000001E-03
 H    3.536300     -0.7847000       1.164100    
 H    1.893300     -0.3378000      -1.433900    
 H    1.872200      0.5280000       2.308200    
 H    2.631000       2.098300       2.066700    
 H   0.9737000       1.823000       1.505200    
 H    3.571500       2.718900     -0.2590000    
 H    3.016100       1.791800      -1.662000    
 H    1.864000       2.737000     -0.7266000    
 H    4.300700     -0.7845000      -1.652400    
 H    7.186300       1.013100      -1.824300    
 H    7.654300     -0.5686000      -1.161700    
 H    6.444400     -0.4658000      -2.446900    
 H    7.015500      0.2529000       1.242300    
 H    6.544900       1.832700      0.5794000    
 H    5.394700      0.8907000       1.530600    
 H   -1.226700      -1.400200       1.778000    
 H   -1.293900      -2.493500      0.3824000    
 H   -2.880700      -2.112400      -1.450900    
 H   -2.715100      0.5424000       1.938800    
 H   -5.047700      -1.135800      -2.107500    
 H   -4.830300       1.511000       1.317300    
 H   -7.038100       1.472200       1.016500    
 H   -7.779800       2.141000     -0.4332000    
 H   -6.172500       2.710700      3.8000001E-03


%chk=000158160-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158160

0 1
O -0.212987 -0.057194 0.506062
O 1.301355 -0.641491 2.187921
O -6.233515 -0.201453 -1.552087
C 2.933674 1.881209 1.064835
C 3.499742 0.587983 0.453747
C 1.959634 0.876474 0.371831
C 2.932930 2.005092 2.587236
C 3.135375 3.212587 0.341414
C 4.315731 0.542620 -0.786682
C 1.041209 -0.002738 1.132999
C 5.297803 -0.359698 -1.087705
C 6.054060 -0.271290 -2.403318
C 5.729577 -1.503244 -0.186730
C -1.230551 -0.952229 1.175131
C -2.551266 -0.741809 0.486072
C -2.905314 -1.502053 -0.661099
C -3.469737 0.224076 0.959459
C -4.132001 -1.300709 -1.316324
C -4.708195 0.442915 0.316451
C -5.038219 -0.324243 -0.828979
C -7.203217 0.796019 -1.093556
H 3.727778 -0.176209 1.205874
H 1.566000 1.193922 -0.597870
H 2.732180 1.037617 3.076059
H 3.915368 2.378510 2.932977
H 2.160472 2.724405 2.920680
H 4.133683 3.628200 0.575745
H 3.057614 3.119230 -0.755494
H 2.374589 3.944937 0.669807
H 4.099289 1.320007 -1.534632
H 7.142359 -0.149331 -2.230213
H 5.931530 -1.201016 -2.994546
H 5.709993 0.575524 -3.022340
H 5.629379 -2.471459 -0.716477
H 6.799591 -1.402946 0.084553
H 5.148614 -1.569653 0.746618
H -1.258609 -0.687114 2.246468
H -0.863993 -1.990348 1.084259
H -2.208073 -2.255651 -1.045988
H -3.214769 0.820936 1.843560
H -4.412869 -1.881642 -2.199889
H -5.395316 1.197343 0.710843
H -7.556408 0.573201 -0.067771
H -8.044151 0.723892 -1.798633
H -6.775939 1.817221 -1.125369


