%chk=000126556.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126556

0 1
 O   0.9535000      -2.086200     -0.7388000    
 O   0.8026000      0.9244000      -2.166500    
 O    2.436500     -3.3199999E-02   1.776900    
 O    3.302300     -6.6799998E-02  -1.794900    
 O   -5.237400       1.513800      0.6103000    
 O    4.581400       2.103200       1.739700    
 O   -6.230200     -0.5539000      0.8073000    
 C   0.3582000     -0.8279000     -0.3786000    
 C    1.148700      0.4299000     -0.8576000    
 C    1.040700      -1.744000      0.6497000    
 C    3.179000     -0.2112000      0.5700000    
 C   -1.185500     -0.7786000     -0.4921000    
 C    2.400100      -1.345800       1.176500    
 C   0.3852000       1.734700      -1.068600    
 C    2.657000      0.4933000     -0.6444000    
 C   -1.634600      0.6614000     -6.5000001E-03
 C   -1.105000       1.788700     -0.9132000    
 C    4.649900     -0.1562000      0.7981000    
 C   -1.904900      -1.826900      0.4198000    
 C   -1.595700      -1.072700      -1.960300    
 C   -3.119400      0.7397000      0.2179000    
 C   -3.441500      -1.743300      0.3709000    
 C   -3.891800     -0.3324000      0.3779000    
 C    5.186000       1.291300      0.7417000    
 C    5.419900      -1.029100     -0.2157000    
 C   -3.903700       1.980700      0.3596000    
 C   -5.251100      0.1471000      0.6208000    
 H   0.4489000      -2.343100       1.327600    
 H    2.960300      -2.128300       1.677200    
 H   0.8770000       2.686600     -0.9288000    
 H    2.939400       1.549800     -0.6051000    
 H   -1.177000      0.8237000      0.9826000    
 H   -1.590300       1.766600      -1.896600    
 H   -1.358100       2.760600     -0.4713000    
 H    4.865700     -0.5482000       1.802100    
 H   -1.601700      -1.665500       1.463300    
 H   -1.597600      -2.847200      0.1585000    
 H   -1.064200     -0.4549000      -2.686200    
 H   -1.371000      -2.114200      -2.219200    
 H   -2.663300     -0.9130000      -2.137800    
 H    3.021500      0.4529000      -2.567400    
 H   -3.855700      -2.280800       1.231500    
 H   -3.817200      -2.242600     -0.5293000    
 H    6.263000       1.287500      0.9430000    
 H    5.050300       1.765800     -0.2349000    
 H    5.531400     -0.5471000      -1.190900    
 H    4.935500      -2.000900     -0.3555000    
 H    6.434500      -1.213000      0.1562000    
 H   -3.574200       2.587700       1.207500    
 H   -3.910200       2.581700     -0.5539000    
 H    3.634600       2.176800       1.533700    


%chk=000126556-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126556

0 1
O 0.974844 -2.155775 -0.744541
O 0.762348 0.896165 -2.336645
O 2.365721 0.271717 1.700901
O 3.279217 -0.262774 -1.939659
O -5.336552 1.472457 0.640981
O 4.463795 2.247102 1.557321
O -6.341184 -0.647648 0.756042
C 0.347520 -0.806222 -0.415412
C 1.119821 0.392066 -0.935065
C 1.031961 -1.600924 0.665361
C 3.199831 -0.177133 0.471934
C -1.198053 -0.742889 -0.501517
C 2.362004 -1.174806 1.197414
C 0.403879 1.706877 -1.100697
C 2.654833 0.438032 -0.811827
C -1.615099 0.673279 0.050373
C -1.084000 1.848772 -0.813503
C 4.701375 -0.131432 0.765929
C -1.877408 -1.823180 0.401707
C -1.636924 -0.974973 -1.975605
C -3.110151 0.717400 0.266438
C -3.420767 -1.802306 0.281871
C -3.908305 -0.382685 0.371433
C 5.231444 1.318857 0.717812
C 5.545055 -1.050734 -0.150340
C -3.952093 1.964193 0.433826
C -5.312236 0.031789 0.604681
H 0.411153 -2.162318 1.371101
H 2.864718 -1.874574 1.876477
H 1.014213 2.614402 -1.016150
H 2.953092 1.507065 -0.842275
H -1.132541 0.779183 1.048781
H -1.630170 1.912523 -1.772120
H -1.249575 2.801222 -0.277096
H 4.803506 -0.491692 1.812090
H -1.621588 -1.630386 1.462699
H -1.487325 -2.820884 0.131737
H -1.088049 -0.324561 -2.671468
H -1.423438 -2.022118 -2.254262
H -2.717343 -0.794999 -2.102321
H 2.751008 -0.017319 -2.746384
H -3.877979 -2.412428 1.082960
H -3.757721 -2.257373 -0.669115
H 6.286175 1.323757 1.053902
H 5.210278 1.697711 -0.323417
H 5.487105 -0.721621 -1.199851
H 5.186043 -2.094203 -0.121650
H 6.598321 -1.033366 0.180242
H -3.672843 2.566580 1.318244
H -3.955588 2.615556 -0.459414
H 3.779473 1.735517 2.064274


