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·½·¨ÊÇ£º# ub3lyp/6-31g(d,p) IRC(Maxpoints=40, calcfc) nosymm test

SCF Done:  E(UB+HF-LYP) =  -1014.14704832     A.U. after   24 cycles
             Convg  =    0.3887D-08             -V/T =  2.0093
             S**2   =   3.7770
Annihilation of the first spin contaminant:
S**2 before annihilation     3.7770,   after     3.7503
Range of M.O.s used for correlation:     1   420
NBasis=   420 NAE=    81 NBE=    78 NFC=     0 NFV=     0
NROrb=    420 NOA=    81 NOB=    78 NVA=   339 NVB=   342

**** Warning!!: The smallest alpha delta epsilon is  0.99254951D-01


**** Warning!!: The smallest beta delta epsilon is  0.70704697D-01

Symmetrizing basis deriv contribution to polar:
IMax=3 JMax=2 DiffMx= 0.00D+00
G2DrvN: will do    3 centers at a time, making   14 passes doing MaxLOS=2.
FoFDir/FoFCou used for L=0 through L=2.
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