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Calculated Ionization Energy for for C2 (Carbon diatomic)

2009091408

CBS-Q

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -75.3621170     -75.8009110     0.4387940     0.0000000 75.8009110
cm-1   739.7     964.6     -224.8      
eV -2050.707 0.092 -2050.616 -2062.648 0.120 -2062.528 11.940 -0.028 11.912 0.000 2062.648
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).