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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	-114.065647
Energy at 298.15K
HF Energy	-114.065647
Nuclear repulsion energy	36.679904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1187	1183	0.00
2	Σ_u	2064	2057	745.96
3	Π_u	75	75	21.87
3	Π_u	75	75	21.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.298
C3	0.000	0.000	-1.298

	C1	C2	C3
C1		1.2984	1.2984
C2	1.2984		2.5968
C3	1.2984	2.5968

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

using model chemistry: BLYP/aug-cc-pVTZ

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	0.704
2	C	-0.352
3	C	-0.352

<r²>	32.024
(<r²>)^1/2	5.659

Number	Element	Mulliken
1	C	0.704
2	C	-0.352
3	C	-0.352

	x	y	z	Total
	0.000	0.000	0.001	0.001
CHELPG
AIM
ESP

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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