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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	-2090.406900
Energy at 298.15K
HF Energy	-2090.406900
Nuclear repulsion energy	61.200426

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	0.262
C2	0.000	0.000	-1.398

	Ge1	C2
Ge1		1.6602
C2	1.6602

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.275
2	C	-0.275

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

using model chemistry: B3LYP/STO-3G

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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-2090.516683
Energy at 298.15K	-2090.515534
HF Energy	-2090.516683
Nuclear repulsion energy	73.267528

<r²>	27.336
(<r²>)^1/2	5.228

	Ge1	C2
Ge1		1.3867
C2	1.3867

<r²>	22.265
(<r²>)^1/2	4.719

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

using model chemistry: B3LYP/STO-3G

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)