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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Π
2	1	yes	C*V	¹Σ

	hartrees
Energy at 0K	-2113.092711
Energy at 298.15K
HF Energy	-2113.092711
Nuclear repulsion energy	54.234532

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	0.296
C2	0.000	0.000	-1.578

	Ge1	C2
Ge1		1.8734
C2	1.8734

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.235
2	C	-0.235

All results from a given calculation for GeC (Germanium monocarbide)

using model chemistry: HF/Def2TZVPP

States and conformations

State 1 (³Π)

State 2 (¹Σ)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-2112.978341
Energy at 298.15K	-2112.977140
HF Energy	-2112.978341
Nuclear repulsion energy	59.329593

<r²>	32.791
(<r²>)^1/2	5.726

	Ge1	C2
Ge1		1.7010
C2	1.7010

<r²>	29.428
(<r²>)^1/2	5.425

All results from a given calculation for GeC (Germanium monocarbide)

using model chemistry: HF/Def2TZVPP

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)