%chk=000021798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021798

0 1
 O   -1.197100      -1.138500     -0.7753000    
 O   9.0899996E-02   1.988300       1.341800    
 O   -1.626400      -1.959900       1.357100    
 N   0.7101000      0.5654000     -0.4181000    
 N  -0.1534000      -3.051900     -6.4099997E-02
 C   -1.610400       1.079000      4.1800000E-02
 C   -2.060300     -0.1141000     -0.5240000    
 C  -0.2059000       1.262900      0.3800000    
 C    2.122400      0.5313000     -0.3130000    
 C   -2.509800       2.116000      0.2896000    
 C   -3.409600     -0.2698000     -0.8419000    
 C   -3.859000       1.960100     -2.8400000E-02
 C   -4.308900      0.7672000     -0.5942000    
 C    2.743600       1.260000      0.6869000    
 C    2.849400     -0.2301000      -1.212000    
 C    4.134200       1.226400      0.7908000    
 C    4.240000     -0.2637000      -1.107900    
 C    4.882300      0.4646000     -0.1064000    
 C   -1.042200      -2.055000      0.2817000    
 C   0.2099000      -4.138300      0.8156000    
 H   -2.180200       3.056300      0.7242000    
 H   0.3414000      2.1199999E-02  -1.194500    
 H   -3.767200      -1.195900      -1.283900    
 H   -4.559100       2.767900      0.1632000    
 H   -5.359200      0.6460000     -0.8422000    
 H    2.236900       1.871900       1.417900    
 H    2.358700     -0.8020000      -1.994600    
 H    4.635700       1.793000       1.570200    
 H    4.822700     -0.8573000      -1.806200    
 H    5.965100      0.4382000     -2.5400000E-02
 H   0.2764000      -3.013800     -0.9833000    
 H   6.5099999E-02  -5.077600      0.2766000    
 H  -0.3959000      -4.133700       1.724800    
 H    1.266000      -4.028400       1.073800    


%chk=000021798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021798

0 1
O -1.080497 -1.177011 -0.410068
O 0.222569 2.875145 0.223985
O -2.105136 -2.757586 1.065979
N 0.890628 0.646540 -0.069475
N -0.421295 -3.345775 -0.472440
C -1.516464 1.204134 -0.010779
C -2.019246 -0.117100 -0.184958
C -0.065254 1.647299 0.056048
C 2.304730 0.765630 -0.026308
C -2.472822 2.247148 0.120454
C -3.403250 -0.387225 -0.222876
C -3.856140 1.995610 0.090578
C -4.322795 0.671576 -0.079867
C 2.988806 2.003648 0.121999
C 3.055816 -0.438370 -0.141709
C 4.400123 2.015236 0.147843
C 4.463699 -0.408954 -0.114496
C 5.147721 0.821320 0.029545
C -1.293656 -2.495077 0.156974
C -0.308856 -4.760735 -0.097782
H -2.074322 3.258520 0.250388
H 0.508030 -0.296880 -0.214692
H -3.755414 -1.413755 -0.346850
H -4.565689 2.822014 0.198849
H -5.396720 0.458796 -0.104371
H 2.409065 2.923191 0.215808
H 2.530372 -1.397591 -0.242933
H 4.919094 2.973630 0.262780
H 5.026758 -1.344919 -0.202704
H 6.242368 0.846626 0.051342
H 0.121547 -2.976815 -1.254215
H -0.571537 -5.417593 -0.946428
H -1.010383 -4.953720 0.728637
H 0.714350 -5.001258 0.242338


