%chk=000028646.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028646

0 1
 O   0.3315000      -4.490000     -0.7010000    
 O   -4.210400       2.620700      0.4344000    
 O   -2.157400       3.227600      0.9390000    
 N    1.361300      -1.689600      0.7128000    
 N   -1.194400      -2.775500     -0.8147000    
 N   -2.983500       2.378600      0.5273000    
 C   0.8446000     -0.7434000     -0.3019000    
 C    1.715300     -0.9955000       1.959100    
 C    1.739300      0.4835000     -0.4781000    
 C    2.871500     -2.4800001E-02   1.722600    
 C  -0.6554000     -0.4494000     -0.1736000    
 C    2.672400      0.8418000      0.5097000    
 C   0.4655000      -2.809900       1.005700    
 C   -1.588200      -1.445700     -0.5416000    
 C    1.634700       1.270400      -1.638600    
 C  -0.1015000      -3.424200     -0.2609000    
 C   -1.145600      0.8075000      0.2165000    
 C    3.477800       1.975000      0.3272000    
 C   -2.947600      -1.135200     -0.6603000    
 C    2.434600       2.400300      -1.806200    
 C    3.353900       2.753700     -0.8226000    
 C   -2.511100       1.092700      0.1524000    
 C   -3.407000      0.1315000     -0.3073000    
 H   0.9690000      -1.258100      -1.267600    
 H    2.033800      -1.715900       2.723200    
 H   0.8487000     -0.4593000       2.368400    
 H    3.801000     -0.5923000       1.585400    
 H    2.992800      0.6032000       2.613200    
 H  -0.3619000      -2.527400       1.669900    
 H    1.026700      -3.595600       1.526900    
 H   0.9233000       1.006900      -2.417600    
 H  -0.4434000       1.567900      0.5484000    
 H    4.212400       2.251500       1.079300    
 H   -1.788700      -3.312600      -1.440500    
 H   -3.663000      -1.887600     -0.9834000    
 H    2.341500       3.002800      -2.704900    
 H    3.980700       3.630700     -0.9544000    
 H   -4.473200      0.3270000     -0.3880000    


%chk=000028646-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028646

0 1
O 0.201676 -4.634118 -0.678750
O -4.241342 2.644827 0.531242
O -2.100043 3.268828 1.013155
N 1.361758 -1.669904 0.739155
N -1.133100 -2.756221 -0.919272
N -2.971113 2.410509 0.595776
C 0.880530 -0.776580 -0.357186
C 1.660829 -0.942372 1.997907
C 1.763527 0.463256 -0.493772
C 2.854109 -0.002377 1.770877
C -0.623121 -0.441435 -0.234792
C 2.680329 0.844524 0.519735
C 0.473781 -2.836490 0.988054
C -1.575816 -1.451262 -0.582232
C 1.658916 1.245786 -1.671638
C -0.108669 -3.482230 -0.274425
C -1.101568 0.822039 0.164596
C 3.467880 2.009498 0.332106
C -2.965171 -1.157715 -0.616458
C 2.447904 2.399137 -1.851114
C 3.358215 2.785767 -0.838886
C -2.488795 1.079853 0.168829
C -3.431634 0.112069 -0.243968
H 0.988915 -1.364057 -1.291662
H 1.914038 -1.690649 2.770541
H 0.775420 -0.369716 2.369844
H 3.769264 -0.616671 1.664062
H 2.998812 0.645501 2.656303
H -0.392378 -2.563318 1.642611
H 1.057441 -3.617878 1.501959
H 0.950323 0.945609 -2.453582
H -0.409318 1.625898 0.429010
H 4.174279 2.304999 1.117645
H -1.654624 -3.291210 -1.621798
H -3.675582 -1.939389 -0.907105
H 2.355711 2.991267 -2.767619
H 3.973841 3.683059 -0.963954
H -4.495222 0.362468 -0.246994


