%chk=000049929.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049929

0 1
 O  -2.9100001E-02  0.3255000     -5.4499999E-02
 O   -1.243600      -1.451400      0.7778000    
 O    3.771800     -0.9623000     -0.9092000    
 N    2.413100      0.4446000     -0.1294000    
 N    3.544500     -0.2062000      4.2900000E-02
 C   -2.362400      0.4523000     -0.2399000    
 C   -3.696600     -0.2620000     -3.3300001E-02
 C   -1.176700     -0.3554000      0.2386000    
 C   -4.882000      0.5629000     -0.5151000    
 C    1.220400     -0.3100000      0.3068000    
 C    2.440500       1.762100      0.5152000    
 H   -2.366000       1.402300      0.3066000    
 H   -2.223900      0.6592000      -1.307300    
 H   -3.687400      -1.221800     -0.5638000    
 H   -3.830400     -0.4941000       1.030300    
 H   -4.798200      0.7791000      -1.584800    
 H   -4.941600       1.513300      2.4700001E-02
 H   -5.816300      1.7400000E-02 -0.3496000    
 H    1.230000     -0.4562000       1.395900    
 H    1.221200      -1.299300     -0.1706000    
 H    2.505700       1.689500       1.608100    
 H    1.544700       2.340400      0.2622000    
 H    3.294400       2.353700      0.1610000    


%chk=000049929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049929

0 1
O 0.054527 -0.500984 -0.639114
O -0.874760 0.053004 1.432118
O 3.093980 0.118165 -1.888253
N 2.173316 0.465760 0.149783
N 3.066110 0.876283 -0.858273
C -2.283462 0.037004 -0.611208
C -3.505982 0.429503 0.242515
C -1.010583 -0.118645 0.199446
C -4.779587 0.573123 -0.616287
C 1.376043 -0.741851 0.023584
C 2.143898 1.320559 1.348031
H -2.092943 0.790195 -1.401142
H -2.463832 -0.913739 -1.150234
H -3.661007 -0.330937 1.030452
H -3.294051 1.377674 0.770955
H -5.029824 -0.376290 -1.126325
H -4.654375 1.349632 -1.394422
H -5.646353 0.858367 0.006440
H 1.201636 -1.171042 1.023328
H 1.884337 -1.429780 -0.668598
H 2.518940 0.772817 2.231766
H 1.117465 1.661023 1.558270
H 2.798608 2.183758 1.149768


