%chk=000046343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046343

0 1
 O    2.288500      0.7675000      0.3646000    
 O   -2.474500      0.4013000     -0.5428000    
 O    1.889700     -0.1238000      -1.728900    
 O   -1.958200     -0.2735000       1.605500    
 C   0.7466000      -1.049400      0.2432000    
 C  -0.6908000      -1.165700     -0.3054000    
 C   0.8966000      -2.557800     -4.5400001E-02
 C  -0.6375000      -2.657200      8.5500002E-02
 C    1.707300     -9.2500001E-02 -0.5194000    
 C   -1.776100     -0.2991000      0.3957000    
 C    3.597200       1.224300      8.2999999E-03
 C   -3.516500       1.240400     -3.4499999E-02
 C    4.521900      2.6100000E-02 -0.1424000    
 C    4.095000       2.194600       1.068700    
 C   -4.512400      0.3894000      0.7386000    
 C   -4.176800       1.975300      -1.191100    
 H   0.7613000     -0.8539000       1.326700    
 H  -0.7267000      -1.047400      -1.399500    
 H    1.467700      -3.127600      0.6923000    
 H    1.270900      -2.798400      -1.047200    
 H   -1.123000      -3.347700     -0.6092000    
 H  -0.9803000      -2.877800       1.103100    
 H    3.534100       1.766900     -0.9433000    
 H   -3.072000       1.991200      0.6310000    
 H    4.491700     -0.6057000      0.7525000    
 H    4.247900     -0.6104000     -0.9889000    
 H    5.555800      0.3495000     -0.3020000    
 H    4.142700       1.709600       2.049900    
 H    3.402800       3.037600       1.168500    
 H    5.086900       2.583800      0.8204000    
 H   -5.461300      0.9236000      0.8618000    
 H   -4.179000      0.1479000       1.750700    
 H   -4.717400     -0.5551000      0.2225000    
 H   -4.960500       2.653300     -0.8401000    
 H   -3.433500       2.557800      -1.746300    
 H   -4.616200       1.267500      -1.902600    


%chk=000046343-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046343

0 1
O 2.574481 0.348627 0.516291
O -2.533604 0.322823 -0.447894
O 1.894106 -0.371657 -1.601145
O -1.898007 -0.261486 1.724347
C 0.737095 -1.188421 0.407793
C -0.715355 -1.224013 -0.202124
C 0.797910 -2.754231 0.232311
C -0.762332 -2.765477 0.122261
C 1.763430 -0.382015 -0.351581
C -1.746919 -0.357731 0.480643
C 3.678505 1.175474 -0.103604
C -3.636717 1.200920 0.098435
C 4.879036 0.262793 -0.391057
C 3.964505 2.284237 0.910814
C -4.855122 0.322856 0.416812
C -3.888543 2.250944 -0.985469
H 0.715950 -0.898299 1.469640
H -0.695417 -1.033787 -1.286222
H 1.256684 -3.318679 1.058591
H 1.280795 -3.027549 -0.721238
H -1.216096 -3.410558 -0.645782
H -1.243267 -2.949627 1.097864
H 3.278719 1.583631 -1.050792
H -3.249313 1.660146 1.027189
H 5.235085 -0.213773 0.539533
H 4.609021 -0.521252 -1.118006
H 5.708658 0.856321 -0.817258
H 4.312610 1.856772 1.867473
H 3.057998 2.881989 1.106046
H 4.750682 2.956770 0.522052
H -5.681022 0.950523 0.798956
H -4.607165 -0.424693 1.188734
H -5.206062 -0.198164 -0.491593
H -4.676097 2.951625 -0.653514
H -2.971894 2.828019 -1.194923
H -4.220437 1.771543 -1.923085


