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>>>>>>>>>> Convergence criterion not met.
SCF Done:  E(UB3LYP) =  -1651.28108890     A.U. after  201 cycles
             Convg  =    0.3694D-05             -V/T =  2.0012
= 0.0000 = 0.0000 = 0.5000 = 0.8278 S= 0.5382
= 0.000000000000E+00
KE= 1.649298164083D+03 PE=-4.377442707632D+03 EE= 8.434950922389D+02
Annihilation of the first spin contaminant:
S**2 before annihilation     0.8278,   after     0.7522
Convergence failure -- run terminated.
Error termination via Lnk1e in C:\G09W\l502.exe at Wed Sep 07 09:03:34 2011.
Job cpu time:  0 days  0 hours 45 minutes 18.0 seconds.
File lengths (MBytes):  RWF=     33 Int=      0 D2E=      0 Chk=      2 Scr=      1
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