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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	-113.942948
Energy at 298.15K
HF Energy	-113.822665
Nuclear repulsion energy	36.402013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1211	1159	0.00
2	Σ_u	2127	2037	599.98
3	Π_u	174	167	19.22
3	Π_u	174	167	19.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.308
C3	0.000	0.000	-1.308

	C1	C2	C3
C1		1.3083	1.3083
C2	1.3083		2.6167
C3	1.3083	2.6167

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

using model chemistry: B2PLYP/cc-pVDZ

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	0.062
2	C	-0.031
3	C	-0.031

<r²>	32.095
(<r²>)^1/2	5.665

	C1	C2	C3
C1		1.3084	1.3084
C2	1.3084		2.6167
C3	1.3084	2.6167

Number	Element	Mulliken
1	C	0.062
2	C	-0.031
3	C	-0.031

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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