⇣ hartree-energykcal (IT) ⇣11.0413084184367E-2155.2065420921837E-21101.0413084184367E-20202.0826168368735E-20505.2065420921837E-201001.0413084184367E-19⇣ hartree-energykcal (IT) ⇣1,0001.0413084184367E-185,0005.2065420921837E-1810,0001.0413084184367E-1725,0002.6032710460918E-1750,0005.2065420921837E-17100,0001.0413084184367E-16