%chk=000004527.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004527

0 1
 O    2.944700      0.2396000      0.3802000    
 O    1.298300      -1.737700       1.486400    
 O  -0.1111000      -1.774200      -1.885900    
 O   0.5973000       2.407400      -1.401000    
 N  -0.7339000      0.5153000      0.3483000    
 N   -1.812400       1.227800      0.7040000    
 N   -2.426500     -0.7922000     -2.3000000E-02
 N   -2.844700      0.4312000      0.4541000    
 C   0.6276000      0.9923000      0.5268000    
 C    1.634800      2.5500000E-02 -0.1419000    
 C    1.265300      -1.453200      8.6800002E-02
 C  -0.1326000      -1.770900     -0.4640000    
 C   -1.112800     -0.7302000     -6.8999998E-02
 C   0.8060000       2.419400     -1.7000000E-03
 H   0.7987000       1.007700       1.611300    
 H    1.683000      0.2050000      -1.222700    
 H    2.019100      -2.091000     -0.3905000    
 H  -0.4676000      -2.754100     -0.1153000    
 H    1.819700       2.781800      0.1979000    
 H   9.4999999E-02   3.115100      0.4557000    
 H    3.549600     -0.3630000     -8.5100003E-02
 H    1.091200      -2.681100       1.598100    
 H  -0.9796000      -2.083700      -2.196300    
 H   0.7235000       3.317900      -1.717900    


%chk=000004527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004527

0 1
O 2.943789 0.011575 0.420163
O 1.214358 -1.897117 1.468929
O -0.162152 -2.140884 -1.880411
O 0.782785 2.686066 -1.116089
N -0.713602 0.531579 0.202307
N -1.771646 1.455324 0.167021
N -2.496806 -0.596968 -0.487491
N -2.847835 0.749905 -0.254530
C 0.670221 0.873485 0.587803
C 1.601369 -0.107864 -0.173014
C 1.171486 -1.579343 0.038827
C -0.266691 -1.870912 -0.435115
C -1.170684 -0.691459 -0.201430
C 0.969456 2.357442 0.296673
H 0.792929 0.685428 1.672222
H 1.598857 0.140255 -1.252100
H 1.851456 -2.234412 -0.539442
H -0.643025 -2.755492 0.111514
H 2.033289 2.542608 0.517400
H 0.349002 2.999858 0.948921
H 3.568513 0.425598 -0.222778
H 2.120501 -1.651171 1.793062
H -1.074616 -2.279452 -2.244635
H -0.188356 2.800651 -1.282506


