%chk=000022644.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022644

0 1
 O    2.724300       1.556900      0.3748000    
 O    2.885700      -1.180100     -6.8700001E-02
 N   -3.211400     -0.9171000      0.5071000    
 C   -3.348600      0.4675000      3.4600001E-02
 C   -2.167000       1.323100      0.5222000    
 C  -0.8269000      0.6567000      0.3358000    
 C  -0.7458000     -0.7314000      0.1322000    
 C   -1.995700      -1.565500      1.7000000E-03
 C   -3.546300      0.5542000      -1.482400    
 C   0.3486000       1.413800      0.4264000    
 C   0.5107000      -1.335100     -1.2200000E-02
 C    1.594000      0.8012000      0.2905000    
 C    1.674900     -0.5714000      6.9600001E-02
 C    3.222300       2.115800     -0.8391000    
 C    2.881300      -2.588700     -0.2924000    
 H   -4.257600      0.8774000      0.4928000    
 H   -2.287900       1.517800       1.596200    
 H   -2.176000       2.293000      9.8999999E-03
 H   -2.128100      -1.842900      -1.051000    
 H   -1.863600      -2.495300      0.5673000    
 H   -4.024500      -1.462700      0.2230000    
 H   -4.384400     -7.4400000E-02  -1.803000    
 H   -3.778700       1.584300      -1.774900    
 H   -2.657400      0.2480000      -2.043000    
 H   0.2913000       2.485200      0.6046000    
 H   0.5113000      -2.405800     -0.1889000    
 H    2.485900       2.796400      -1.278100    
 H    3.475500       1.325100      -1.552500    
 H    4.128700       2.682400     -0.6090000    
 H    2.395500      -2.845700      -1.239800    
 H    2.454000      -3.131600      0.5576000    
 H    3.926600      -2.904200     -0.3767000    


%chk=000022644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022644

0 1
O 2.583793 1.797240 0.299147
O 2.913117 -0.982255 -0.218637
N -3.280690 -0.939375 0.526479
C -3.493667 0.456966 0.067337
C -2.329732 1.307576 0.630258
C -0.969203 0.679329 0.355069
C -0.845381 -0.707344 0.094039
C -2.075205 -1.604035 -0.006170
C -3.644401 0.620172 -1.471878
C 0.204253 1.473117 0.375563
C 0.438062 -1.269445 -0.118367
C 1.484276 0.926908 0.166881
C 1.605589 -0.477865 -0.069817
C 3.558712 1.829719 -0.810011
C 3.062861 -2.430498 -0.361802
H -4.432336 0.802508 0.543032
H -2.470641 1.398231 1.725159
H -2.368538 2.331213 0.210203
H -2.181395 -1.920403 -1.076549
H -1.904927 -2.530967 0.576154
H -4.121003 -1.521278 0.427775
H -4.452255 -0.029366 -1.859509
H -3.895751 1.665892 -1.730739
H -2.707604 0.360073 -1.997498
H 0.144844 2.550819 0.565168
H 0.513964 -2.346325 -0.307808
H 3.061778 2.137691 -1.751208
H 4.041465 0.847383 -0.941726
H 4.299186 2.588996 -0.514524
H 2.584624 -2.798935 -1.290759
H 2.638693 -2.964499 0.510568
H 4.148212 -2.604343 -0.411230


