%chk=000046387.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046387

0 1
 O   -2.142900     -0.8694000     -9.9999997E-05
 O    3.218200      7.7299997E-02 -3.0000001E-04
 N   -1.529700       1.312400      9.9999997E-05
 N   -3.848100      0.6706000     -3.0000001E-04
 C  -0.4070000      0.5205000      9.9999997E-05
 C  -0.7785000     -0.8159000       0.000000    
 C   0.9572000      0.8446000      3.0000001E-04
 C    1.884500     -0.2076000      1.9999999E-04
 C   0.1094000      -1.884500     -9.9999997E-05
 C    1.466500      -1.544100      9.9999997E-05
 C   -2.514600      0.4413000      1.9999999E-04
 C    3.585100       1.454800     -1.9999999E-04
 H    1.217700       1.894900      3.0000001E-04
 H  -0.2242000      -2.914600     -1.9999999E-04
 H    2.208200      -2.340100       0.000000    
 H   -4.521800     -8.8100001E-02 -6.0000003E-04
 H   -4.229800       1.610700     -6.0000003E-04
 H    4.679300       1.497500     -3.9999999E-04
 H    3.247200       1.962400      0.9098000    
 H    3.246900       1.962700     -0.9098000    


%chk=000046387-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046387

0 1
O -2.234004 -0.937445 -0.000128
O 3.256831 0.064799 -0.000091
N -1.626476 1.319751 -0.000154
N -3.967639 0.667823 -0.000135
C -0.450265 0.516314 -0.000125
C -0.806293 -0.861736 -0.000114
C 0.907669 0.895292 -0.000120
C 1.867261 -0.149474 -0.000081
C 0.125658 -1.902659 -0.000085
C 1.486993 -1.523485 -0.000068
C -2.621212 0.434332 -0.000133
C 3.724353 1.448710 0.000042
H 1.184113 1.952245 -0.000138
H -0.171043 -2.954796 -0.000068
H 2.279756 -2.276521 -0.000042
H -4.624641 -0.106194 -0.000124
H -4.294849 1.628871 -0.000162
H 4.822736 1.384990 0.000142
H 3.382237 1.992233 0.903524
H 3.382414 1.992352 -0.903440


