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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	D*H	¹Σ_g
1	2	no	C2V	¹A₁

	hartrees
Energy at 0K	-16.656922
Energy at 298.15K
HF Energy	-16.656922
Nuclear repulsion energy	16.026753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1163	1134	0.00
2	Σ_u	2064	2011	904.87
3	Π_u	367	357	8.17
3	Π_u	367	357	8.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.321
C3	0.000	0.000	-1.321

	C1	C2	C3
C1		1.3207	1.3207
C2	1.3207		2.6415
C3	1.3207	2.6415

All results from a given calculation for C₃ (carbon trimer)

using model chemistry: B3LYP/CEP-121G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.147
2	C	-0.074
3	C	-0.074

<r²>	25.610
(<r²>)^1/2	5.061

	C1	C2	C3
C1		1.3209	1.3209
C2	1.3209		2.6417
C3	1.3209	2.6417

Number	Element	Mulliken
1	C	0.147
2	C	-0.073
3	C	-0.073

All results from a given calculation for C3 (carbon trimer)

using model chemistry: B3LYP/CEP-121G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

All results from a given calculation for C₃ (carbon trimer)