%chk=000025977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025977

0 1
 O  -0.6733000     -0.2653000     -4.7100000E-02
 O   0.5828000      -1.767400       1.163400    
 N   -4.189900     -0.1981000      0.9440000    
 C   -3.097700     -7.4699998E-02 -2.1100000E-02
 C   -3.543200     -0.5531000      -1.417400    
 C   -1.862700     -0.8037000      0.5167000    
 C   -4.620800      -1.591400       1.052300    
 C   -5.312300      0.6557000      0.5573000    
 C   -2.487800     -0.4072000      -2.518800    
 C   -5.714100      -1.748400       2.095500    
 C   -4.882200       2.108100      0.4400000    
 C   -2.991500     -0.9645000      -3.842300    
 C    1.681400     -0.2075000     -0.3649000    
 C   0.5016000     -0.8434000      0.3639000    
 C    3.001600     -0.9170000     -9.2200004E-02
 C    1.791000       1.298000     -0.1629000    
 C    3.799800     -0.5172000      0.9797000    
 C    2.343700       2.097400      -1.163500    
 C    3.412200      -1.966900     -0.9138000    
 C    1.338500       1.877700       1.022400    
 C    5.008600      -1.166800       1.229700    
 C    2.444100       3.476400     -0.9789000    
 C    4.620900      -2.616600     -0.6637000    
 C    1.438800       3.256700       1.207000    
 C    5.419000      -2.216500      0.4081000    
 C    1.991600       4.056000      0.2063000    
 H   -2.779500      0.9698000     -0.1126000    
 H   -3.805700      -1.615900      -1.401400    
 H   -4.425200     -7.8999996E-03  -1.766600    
 H   -1.907300      -1.876200      0.2912000    
 H   -1.794500     -0.6746000       1.605000    
 H   -5.024000      -2.004300      0.1225000    
 H   -3.795000      -2.235000       1.372600    
 H   -6.056500      0.6544000       1.362300    
 H   -5.847000      0.3305000     -0.3414000    
 H   -2.218500      0.6479000      -2.640500    
 H   -1.577300     -0.9540000      -2.255800    
 H   -5.861400      -2.812000       2.315200    
 H   -6.680300      -1.364600       1.753400    
 H   -5.448800      -1.256300       3.037500    
 H   -5.769600       2.751800      0.4393000    
 H   -4.351700       2.316200     -0.4942000    
 H   -4.259500       2.421500       1.285200    
 H   -2.226300     -0.8497000      -4.616500    
 H   -3.891100     -0.4361000      -4.173900    
 H   -3.229600      -2.029600      -3.756700    
 H    1.452600     -0.3620000      -1.431300    
 H    3.505500      0.2800000       1.654200    
 H    2.700500       1.658100      -2.091300    
 H    2.799100      -2.290600      -1.750600    
 H   0.9169000       1.279800       1.825500    
 H    5.627900     -0.8590000       2.067100    
 H    2.874900       4.098800      -1.757800    
 H    4.940200      -3.434700      -1.302800    
 H    1.089800       3.707900       2.131300    
 H    6.359400      -2.723400      0.6037000    
 H    2.070500       5.129500      0.3506000    


%chk=000025977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025977

0 1
O -0.910861 0.360221 0.047765
O 0.296959 -0.109006 1.981559
N -4.565695 -0.217235 0.283435
C -3.232924 -0.313340 -0.388799
C -3.082469 -1.554040 -1.321611
C -2.135702 -0.211004 0.691775
C -4.971957 -1.425109 1.053670
C -5.637300 0.324731 -0.591858
C -1.863211 -1.521903 -2.272523
C -5.887559 -1.081247 2.245681
C -5.541403 1.851160 -0.787177
C -1.843256 -2.728728 -3.235963
C 1.426262 0.901114 -0.005085
C 0.253603 0.344326 0.814633
C 2.322391 -0.284796 -0.423956
C 2.198698 2.023137 0.703322
C 3.267930 -0.847340 0.468511
C 2.791538 3.028672 -0.103866
C 2.176892 -0.845020 -1.717747
C 2.380358 2.081097 2.108545
C 4.057176 -1.948267 0.069646
C 3.550315 4.069070 0.474426
C 2.968529 -1.944961 -2.118649
C 3.136354 3.126137 2.687895
C 3.911824 -2.500694 -1.224636
C 3.725769 4.121787 1.876894
H -3.131617 0.597522 -1.011114
H -3.038800 -2.476023 -0.706001
H -4.002515 -1.634204 -1.938288
H -1.864355 -1.183110 1.143270
H -2.463790 0.480269 1.486848
H -5.473767 -2.187130 0.407568
H -4.057161 -1.905916 1.447341
H -6.606728 0.093940 -0.114015
H -5.656078 -0.179383 -1.590509
H -1.882115 -0.578853 -2.856514
H -0.926019 -1.500175 -1.686891
H -6.151434 -1.996940 2.807664
H -6.830696 -0.608012 1.916985
H -5.377158 -0.379673 2.928161
H -6.375244 2.214073 -1.417260
H -4.597930 2.146188 -1.281461
H -5.585443 2.361930 0.190325
H -0.966910 -2.693328 -3.909593
H -2.753126 -2.753538 -3.865734
H -1.797254 -3.681987 -2.675952
H 0.980492 1.317768 -0.924662
H 3.389660 -0.420057 1.468968
H 2.661833 2.992398 -1.192830
H 1.444306 -0.417009 -2.413631
H 1.918871 1.318128 2.743608
H 4.787062 -2.374434 0.767222
H 3.999765 4.836835 -0.165562
H 2.849929 -2.364700 -3.124002
H 3.263410 3.160638 3.775982
H 4.527727 -3.353065 -1.532762
H 4.311422 4.929687 2.329851


