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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	-114.059045
Energy at 298.15K	-114.055472
HF Energy	-114.059045
Nuclear repulsion energy	36.714881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1224	1181	0.00
2	Σ_u	2133	2058	742.45
3	Π_u	118	114	19.59
4	Π_u	118	114	19.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.297
C3	0.000	0.000	-1.297

	C1	C2	C3
C1		1.2972	1.2972
C2	1.2972		2.5944
C3	1.2972	2.5944

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

using model chemistry: TPSSh/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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1223	1180	0.00
2	A₁	120	115	19.58
3	B₂	2132	2058	742.36
3	Π_u	119	115	19.58

Number	Element	Mulliken
1	C	0.171
2	C	-0.086
3	C	-0.086

<r²>	31.415
(<r²>)^1/2	5.605

	C1	C2	C3
C1		1.2978	1.2978
C2	1.2978		2.5715
C3	1.2978	2.5715

Number	Element	Mulliken
1	C	0.171
2	C	-0.086
3	C	-0.086

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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