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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	-2112.681546
Energy at 298.15K
HF Energy	-2112.681546
Nuclear repulsion energy	55.864483

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	0.287
C2	0.000	0.000	-1.532

	Ge1	C2
Ge1		1.8187
C2	1.8187

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.362
2	C	-0.362

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

using model chemistry: B3PW91/6-31G

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	-2112.638217
Energy at 298.15K	-2112.637010
HF Energy	-2112.638217
Nuclear repulsion energy	59.013297

<r²>	31.547
(<r²>)^1/2	5.617

	Ge1	C2
Ge1		1.7217
C2	1.7217

<r²>	29.375
(<r²>)^1/2	5.420

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

using model chemistry: B3PW91/6-31G

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)