%chk=000021797.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021797

0 1
 O  -0.4953000      0.5525000       1.318800    
 O   -1.622300       2.569000       1.306400    
 N    2.636900      -1.936000     -5.3399999E-02
 C   0.5659000     -0.6046000     -0.5332000    
 C  -0.2508000      0.6776000     -9.0400003E-02
 C    1.892600     -0.7270000      0.2664000    
 C    1.921700      -3.151200      0.3354000    
 C    3.916700      -2.006700      0.6511000    
 C    3.005500      -4.217400      0.2764000    
 C    4.316300      -3.465800      0.4873000    
 C   -1.637000      0.7571000     -0.8069000    
 C   0.8617000     -0.6330000      -2.046000    
 C   0.5584000       1.956100     -0.3666000    
 C   -2.542400     -0.4450000     -0.6176000    
 C    1.448800       2.381600      0.5869000    
 C   0.3526000       2.612900      -1.553700    
 C   -1.194600       1.576800       1.880500    
 C   -2.464900      -1.492800      -1.516100    
 C   -3.421900     -0.4629000      0.4489000    
 C    2.182300       3.541300      0.3364000    
 C    1.086100       3.772500      -1.804200    
 C    2.000900       4.236800     -0.8592000    
 C   -3.297300      -2.598500      -1.342100    
 C   -4.254200      -1.568700      0.6228000    
 C   -1.373700       1.311900       3.344700    
 C   -4.191800      -2.636400     -0.2726000    
 H  -4.4000000E-02  -1.477200     -0.2766000    
 H    1.692100     -0.6763000       1.343900    
 H    2.546700      0.1132000      1.3300000E-02
 H    1.523800      -3.083200       1.356100    
 H    1.102800      -3.402800     -0.3454000    
 H    4.664200      -1.333900      0.2191000    
 H    3.808200      -1.770500       1.717500    
 H    3.014900      -4.710200     -0.7030000    
 H    2.852800      -4.988000       1.038700    
 H    4.963700      -3.596700     -0.3877000    
 H    4.858200      -3.834200       1.364200    
 H   -2.220800       1.652400     -0.5723000    
 H   -1.522700      0.8338000      -1.893200    
 H    1.673100      5.6600001E-02  -2.303800    
 H   9.6000005E-03 -0.3751000      -2.673100    
 H    1.183900      -1.634400      -2.352000    
 H    1.615500       1.859700       1.523200    
 H  -0.3161000       2.291100      -2.339400    
 H   -1.799500      -1.480200      -2.370100    
 H   -3.500700      0.3666000       1.142600    
 H    2.896000       3.902200       1.071300    
 H   0.9509000       4.310900      -2.737800    
 H    2.573600       5.138600      -1.055100    
 H   -3.253200      -3.427400      -2.042500    
 H   -4.954600      -1.596200       1.452500    
 H   -1.959100       2.121200       3.790200    
 H   -1.913900      0.3729000       3.489300    
 H  -0.3981000       1.274700       3.835800    
 H   -4.841600      -3.496200     -0.1385000    


%chk=000021797-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021797

0 1
O -0.469998 0.451417 1.211360
O -1.820579 2.344977 1.531692
N 2.608477 -1.973423 -0.034861
C 0.650487 -0.538893 -0.667106
C -0.223150 0.704616 -0.265811
C 1.951309 -0.665459 0.174621
C 1.930251 -3.134714 0.603764
C 4.012558 -2.034638 0.445528
C 3.003728 -4.263508 0.608208
C 4.359234 -3.535028 0.320127
C -1.602023 0.720117 -1.017853
C 1.013079 -0.565287 -2.169695
C 0.536377 2.034183 -0.435340
C -2.561207 -0.419593 -0.692990
C 1.399199 2.513523 0.584544
C 0.442138 2.783052 -1.636258
C -1.269402 1.309498 1.968129
C -2.463431 -1.683579 -1.333767
C -3.621821 -0.219287 0.230424
C 2.134039 3.705335 0.414874
C 1.180413 3.974654 -1.811316
C 2.030866 4.443673 -0.786254
C -3.377270 -2.721407 -1.044502
C -4.538324 -1.254341 0.522750
C -1.379936 0.779861 3.383624
C -4.416902 -2.513266 -0.109240
H 0.019030 -1.418233 -0.435225
H 1.713685 -0.504790 1.254088
H 2.661858 0.123935 -0.135913
H 1.619724 -2.889398 1.651848
H 1.019119 -3.417466 0.047336
H 4.661330 -1.382497 -0.166326
H 4.104237 -1.705918 1.514228
H 2.795087 -5.020575 -0.166787
H 3.016845 -4.782815 1.582614
H 4.698692 -3.754680 -0.706768
H 5.161151 -3.834978 1.017112
H -2.084704 1.685205 -0.791977
H -1.379617 0.705153 -2.099327
H 1.530193 0.363389 -2.473205
H 0.134935 -0.698426 -2.826590
H 1.703261 -1.410229 -2.337509
H 1.484865 1.956855 1.523627
H -0.216093 2.448798 -2.444079
H -1.679602 -1.853682 -2.081347
H -3.736935 0.760793 0.707833
H 2.785272 4.059151 1.222193
H 1.084963 4.537145 -2.746949
H 2.599881 5.370601 -0.918191
H -3.284232 -3.686773 -1.555250
H -5.352892 -1.074429 1.233856
H -1.874681 1.526619 4.021587
H -1.974244 -0.151715 3.380375
H -0.383717 0.533451 3.788229
H -5.129628 -3.315478 0.113065


