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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	-16.690911
Energy at 298.15K
HF Energy	-16.690911
Nuclear repulsion energy	16.233121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1208	1171	0.00
2	Σ_u	2096	2032	839.61
3	Π_u	311	301	13.19
3	Π_u	311	301	13.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.304
C3	0.000	0.000	-1.304

	C1	C2	C3
C1		1.3039	1.3039
C2	1.3039		2.6079
C3	1.3039	2.6079

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	0.295
2	C	-0.147
3	C	-0.147

<r²>	25.069
(<r²>)^1/2	5.007

	C1	C2	C3
C1		1.3040	1.3040
C2	1.3040		2.6079
C3	1.3040	2.6079

Number	Element	Mulliken
1	C	0.295
2	C	-0.147
3	C	-0.147

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)