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>>>>>>>>>> Convergence criterion not met.
SCF Done:  E(UB+HF-LYP) =  -1714.45115901     A.U. after  129 cycles
             Convg  =    0.8068D-05             -V/T =  2.0529
             S**2   =   0.9172
KE= 1.628346096785D+03 PE=-1.275059909267D+04 EE= 5.005782636124D+03
Annihilation of the first spin contaminant:
S**2 before annihilation     0.9172,   after     0.7568
Convergence failure -- run terminated.
Error termination via Lnk1e in d:program filesg03l502.exe at Fri Jun 18 18:59:12 2021.
Job cpu time:  1 days  5 hours 55 minutes 14.0 seconds.
File lengths (MBytes):  RWF=    206 Int=      0 D2E=      0 Chk=     18 Scr=      1




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