%chk=000029851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029851

0 1
 O   -1.890700       2.106000      0.1176000    
 O   -3.726300      3.6200002E-02 -0.1474000    
 N    2.603700     -0.2324000     -0.5541000    
 N    4.652800      0.7839000     -0.9041000    
 N    4.447500     -0.5113000      0.9600000    
 C   0.3274000     -0.7991000      0.1790000    
 C  -0.1121000      0.5246000      0.2018000    
 C   -1.473200      0.8095000      9.2299998E-02
 C    1.782500      -1.103200      0.2964000    
 C  -0.5941000      -1.837800      4.6900000E-02
 C   -2.394700     -0.2292000     -3.9600000E-02
 C   -1.955200      -1.552800     -6.2300000E-02
 C    3.819400     -2.0199999E-02 -0.1629000    
 C  -0.8853000       3.108100      0.2552000    
 C   -4.601800      -1.082200     -0.2789000    
 H   0.6437000       1.293400      0.3196000    
 H    2.020200     -0.9993000       1.361600    
 H    1.979600      -2.143500      1.0100000E-02
 H  -0.2656000      -2.873800      2.9500000E-02
 H   -2.612800      -2.409400     -0.1616000    
 H  -0.1965000       3.109600     -0.5965000    
 H  -0.3636000       3.027700       1.215000    
 H   -1.394800       4.077500      0.2521000    
 H   -4.573000      -1.723800      0.6084000    
 H   -4.409600      -1.638700      -1.202600    
 H   -5.620400     -0.6871000     -0.3523000    
 H    4.332500       1.220400      -1.761800    
 H    5.608900      0.9640000     -0.6181000    
 H    5.410200     -0.2640000       1.163300    
 H    4.005200      -1.155200       1.604800    


%chk=000029851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029851

0 1
O -2.023523 2.068136 -0.251893
O -3.770441 0.079071 -0.041213
N 2.685650 0.130413 -0.001274
N 4.727534 1.256260 0.294292
N 4.744995 -1.086206 0.430959
C 0.384946 -0.815292 0.067428
C -0.089677 0.509341 -0.077740
C -1.472605 0.785287 -0.111777
C 1.887535 -1.104226 0.099490
C -0.546098 -1.868278 0.178360
C -2.414611 -0.285577 0.001387
C -1.936797 -1.606587 0.146195
C 3.976697 0.071622 0.222784
C -1.080139 3.180426 -0.366062
C -4.748836 -0.999333 0.083781
H 0.665309 1.295120 -0.160186
H 2.114300 -1.671979 1.035609
H 2.117953 -1.796232 -0.745997
H -0.197737 -2.902732 0.292224
H -2.641452 -2.438914 0.236516
H -0.436104 3.074706 -1.261160
H -0.441113 3.262517 0.535140
H -1.708542 4.078525 -0.461876
H -4.652170 -1.525926 1.054442
H -4.655305 -1.732770 -0.742218
H -5.729055 -0.502863 0.028086
H 4.182359 2.112060 0.204762
H 5.680462 1.265450 -0.066999
H 5.623681 -1.035398 0.941400
H 4.316685 -1.998724 0.306940


