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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	-2104.699846
Energy at 298.15K
HF Energy	-2104.699846
Nuclear repulsion energy	55.105012

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	0.291
C2	0.000	0.000	-1.553

	Ge1	C2
Ge1		1.8438
C2	1.8438

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.382
2	C	-0.382

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

using model chemistry: BLYP/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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-2104.669066
Energy at 298.15K	-2104.667843
HF Energy	-2104.669066
Nuclear repulsion energy	58.421404

<r²>	32.051
(<r²>)^1/2	5.661

	Ge1	C2
Ge1		1.7391
C2	1.7391

<r²>	29.705
(<r²>)^1/2	5.450

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

using model chemistry: BLYP/3-21G

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)