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# b3lyp/6-311+g(d,p)

[No Title]

1 2
C                  0.63276700    1.12586400   -0.11620400
N                 -0.70828100    1.18890400   -0.06786600
C                 -1.31161900   -0.00047200    0.00014400
N                 -0.70740100   -1.18939600    0.06824300
C                  0.63359200   -1.12536800    0.11677800
N                  1.35092400    0.00051200    0.00035200
N                 -2.70889500   -0.00100200    0.00006400
¡­¡­
>>>>>>>>>> Convergence criterion not met.
SCF Done:  E(UB3LYP) =  -1829.37779363     A.U. after  129 cycles
             Convg  =    0.7260D-03             -V/T =  2.0045
= 0.0000 = 0.0000 = 0.5000 = 0.7568 S= 0.5034
= 0.000000000000E+00
Annihilation of the first spin contaminant:
S**2 before annihilation     0.7568,   after     0.7500
DiagDN has N=  1134 LTot=  3436 but NE2=     3 cannot use DSYEVD.
Convergence failure -- run terminated.
Error termination via Lnk1e in /opt/g09/l502.exe at Tue Dec  4 07:28:15 2012.
Job cpu time:  4 days 15 hours 33 minutes 43.5 seconds.
File lengths (MBytes):  RWF=   1169 Int=      0 D2E=      0 Chk=     30 Scr=      1
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