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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	-2104.538953
Energy at 298.15K
HF Energy	-2104.538953
Nuclear repulsion energy	55.604697

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	0.289
C2	0.000	0.000	-1.539

	Ge1	C2
Ge1		1.8272
C2	1.8272

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.189
2	C	-0.189

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

using model chemistry: PBE1PBE/3-21G*

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	-2104.489286
Energy at 298.15K	-2104.488073
HF Energy	-2104.489286
Nuclear repulsion energy	58.634309

<r²>	31.580
(<r²>)^1/2	5.620

	Ge1	C2
Ge1		1.7328
C2	1.7328

<r²>	29.473
(<r²>)^1/2	5.429

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

using model chemistry: PBE1PBE/3-21G*

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)