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

	hartrees
Energy at 0K	-113.961376
Energy at 298.15K
HF Energy	-113.820096
Nuclear repulsion energy	36.749849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1215	1215	0.00
2	Σ_u	2138	2138	590.42
3	Π_u	195	195	21.62
3	Π_u	195	195	21.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.296
C3	0.000	0.000	-1.296

	C1	C2	C3
C1		1.2960	1.2960
C2	1.2960		2.5919
C3	1.2960	2.5919

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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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	C1	C2	C3
C1		1.2959	1.2959
C2	1.2959		2.5918
C3	1.2959	2.5918

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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