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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	-2113.136046
Energy at 298.15K
HF Energy	-2113.136046
Nuclear repulsion energy	54.338291

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	0.295
C2	0.000	0.000	-1.575

	Ge1	C2
Ge1		1.8698
C2	1.8698

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.297
2	C	-0.297

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

using model chemistry: HF/cc-pVQZ

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	-2113.021699
Energy at 298.15K	-2113.020497
HF Energy	-2113.021699
Nuclear repulsion energy	59.409809

<r²>	32.763
(<r²>)^1/2	5.724

	Ge1	C2
Ge1		1.7102
C2	1.7102

<r²>	29.407
(<r²>)^1/2	5.423

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

using model chemistry: HF/cc-pVQZ

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)