return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy

Calculated Ionization Energy for for Ti (Titanium atom)

2009091408

B97D3/6-31+G**

Units Cation Neutral Difference
Hartrees -849.2065624 -849.4718873 0.2653250
eV -23108.086 -23115.306 7.220