%chk=000046323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046323

0 1
 O    2.746600      -2.281600      2.3000000E-02
 C   -2.359600      0.2190000     -0.1229000    
 C   -3.737400      8.8000000E-03  0.5093000    
 C   -1.202000     -1.0200000E-02  0.8540000    
 C   -4.855800      0.2271000     -0.5136000    
 C   0.1778000      0.1277000      0.2015000    
 C   -6.231600     -2.1000000E-02  0.1092000    
 C    1.329700     -9.2799999E-02   1.189600    
 C   -7.388800      0.2135000     -0.8640000    
 C    2.697600      5.0900001E-02  0.5709000    
 C   -8.753900     -0.1003000     -0.2711000    
 C    3.333800      -1.052200      2.0600000E-02
 C    3.299200       1.301200      0.5659000    
 C    4.598900     -0.9020000     -0.5471000    
 C    5.214200      0.3498000     -0.5583000    
 C    4.564400       1.451400     -1.7000000E-03
 C    6.566800      0.5107000      -1.165400    
 H   -2.247500     -0.4638000     -0.9743000    
 H   -2.294200       1.238100     -0.5236000    
 H   -3.864400      0.7007000       1.350600    
 H   -3.801500      -1.008600      0.9138000    
 H   -1.291800      -1.013200       1.289200    
 H   -1.284800      0.7039000       1.682400    
 H   -4.806900       1.252400     -0.8996000    
 H   -4.715000     -0.4476000      -1.366700    
 H   0.2657000       1.126200     -0.2456000    
 H   0.2582000     -0.5894000     -0.6250000    
 H   -6.277500      -1.053000      0.4789000    
 H   -6.360500      0.6330000      0.9805000    
 H    1.237700      0.6423000       2.001800    
 H    1.227300      -1.059300       1.697800    
 H   -7.376600       1.257900      -1.197400    
 H   -7.243200     -0.4065000      -1.756800    
 H   -9.540900      8.6199999E-02  -1.008300    
 H   -8.951300      0.5254000      0.6050000    
 H   -8.814700      -1.149400      3.5000000E-02
 H    2.801400       2.166800      0.9937000    
 H    5.100200      -1.763700     -0.9813000    
 H    5.032300       2.432300     -6.5000001E-03
 H    7.162000     -0.4016000      -1.050200    
 H    6.475000      0.7379000      -2.232200    
 H    7.124500       1.319700     -0.6813000    
 H    1.789900      -2.206700      0.1618000    


%chk=000046323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046323

0 1
O 2.647629 -2.184096 -0.288132
C -2.363508 0.135995 -0.141950
C -3.764336 -0.022555 0.491109
C -1.210968 -0.030356 0.873963
C -4.916615 0.135727 -0.526647
C 0.187022 0.135896 0.239262
C -6.318245 -0.018664 0.105595
C 1.342399 -0.021929 1.270334
C -7.470246 0.133529 -0.914135
C 2.726641 0.110692 0.652994
C -8.866740 -0.021453 -0.273867
C 3.306581 -0.949054 -0.101554
C 3.483310 1.300043 0.774653
C 4.575869 -0.823782 -0.701914
C 5.317460 0.375157 -0.575317
C 4.754944 1.439444 0.174997
C 6.677721 0.512829 -1.238843
H -2.243959 -0.607529 -0.957597
H -2.288404 1.134956 -0.619961
H -3.886917 0.725367 1.302367
H -3.838148 -1.019486 0.974402
H -1.287106 -1.030521 1.351652
H -1.332472 0.712193 1.690300
H -4.841696 1.131184 -1.012642
H -4.795582 -0.614359 -1.336188
H 0.267269 1.137610 -0.226825
H 0.308430 -0.592582 -0.588692
H -6.393627 -1.012595 0.594838
H -6.442916 0.734074 0.912198
H 1.219118 0.749327 2.053803
H 1.226277 -0.995535 1.798050
H -7.394157 1.126115 -1.403518
H -7.345056 -0.619570 -1.718916
H -9.672142 0.091609 -1.022861
H -9.028069 0.739080 0.513482
H -8.978885 -1.017259 0.195431
H 3.065079 2.131183 1.356342
H 4.972219 -1.675964 -1.264788
H 5.314949 2.374239 0.292855
H 7.320170 -0.361886 -1.028890
H 6.580559 0.589068 -2.338916
H 7.206333 1.415610 -0.887281
H 1.783117 -2.191750 0.192408


