%chk=000004845.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004845

0 1
 O  -0.7852000       1.438000      -1.858600    
 O    4.641600     -5.2700002E-02  0.6586000    
 O    2.738300      -2.806100      0.1503000    
 N   -2.994500      0.5891000     -0.2210000    
 N    1.218800     -0.2149000     -0.6066000    
 C   -3.911100     -0.4351000      0.2910000    
 C   -1.617400      0.2416000      8.6000003E-02
 C  -0.6540000       1.311000     -0.4433000    
 C   -5.345000     -2.9800000E-02 -6.6000000E-02
 C   -3.563600      -1.774200     -0.3679000    
 C   -3.756800     -0.5408000       1.812900    
 C   0.7852000      0.9637000     -0.1311000    
 C    1.534200       1.855900      0.6002000    
 C    2.505200     -0.5203000     -0.3251000    
 C    2.853000       1.506700      0.8694000    
 C    3.355500      0.2977000      0.4014000    
 C    2.995900      -1.829600     -0.8503000    
 H   -3.220100       1.494900      0.1897000    
 H   -1.432900      0.1507000       1.160900    
 H   -1.339000     -0.6999000     -0.3967000    
 H  -0.9092000       2.285200     -7.6000001E-03
 H   -5.613600      0.9316000      0.3875000    
 H   -6.067200     -0.7743000      0.2882000    
 H   -5.474200      6.5099999E-02  -1.150600    
 H   -2.654100      -2.237100      2.9300001E-02
 H   -3.461600      -1.678600      -1.455600    
 H   -4.366600      -2.500700     -0.1899000    
 H   -2.833000      -1.037600       2.126900    
 H   -4.574500      -1.139300       2.233700    
 H   -3.804200      0.4426000       2.295400    
 H    1.133600       2.796300      0.9609000    
 H   -1.721300       1.621700      -2.047800    
 H    3.477700       2.184700       1.444300    
 H    2.450200      -2.106800      -1.758500    
 H    4.064600      -1.814900      -1.085600    
 H    5.063800      0.6529000       1.178000    
 H    3.043900      -3.660200     -0.2000000    


%chk=000004845-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004845

0 1
O -1.301783 1.904232 -1.071488
O 4.412992 -0.611467 -0.373193
O 3.107837 -2.839771 0.694199
N -3.042433 0.822918 0.461507
N 0.789541 -0.184850 0.061405
C -3.681308 -0.509246 0.151155
C -1.709198 0.846739 1.117870
C -0.737124 1.757795 0.268821
C -5.068494 -0.191868 -0.458961
C -2.812084 -1.259909 -0.887572
C -3.860578 -1.369777 1.433900
C 0.666399 1.175911 0.158367
C 1.797306 2.023648 0.108210
C 2.015384 -0.746094 -0.109065
C 3.080286 1.461146 -0.066564
C 3.186050 0.060876 -0.181499
C 2.111273 -2.259932 -0.215847
H -3.718744 1.445668 0.922803
H -1.762671 1.215960 2.158890
H -1.285324 -0.169354 1.132510
H -0.661336 2.764463 0.736964
H -5.713748 0.342132 0.266324
H -5.585881 -1.124518 -0.744954
H -4.960397 0.438420 -1.359694
H -1.782997 -1.428321 -0.524315
H -2.740044 -0.680524 -1.824957
H -3.264620 -2.242451 -1.113958
H -2.887508 -1.587903 1.909887
H -4.339577 -2.336483 1.191890
H -4.498226 -0.847050 2.172383
H 1.669482 3.107486 0.189339
H -2.259684 1.556247 -0.910247
H 3.970911 2.100462 -0.115460
H 1.141531 -2.690351 0.075029
H 2.330309 -2.548396 -1.267294
H 5.169964 0.021392 -0.441744
H 3.986898 -2.440731 0.457755


