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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	-113.963392
Energy at 298.15K
HF Energy	-113.837799
Nuclear repulsion energy	36.697118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1208	1208	0.00
2	Σ_u	2122	2122	625.55
3	Π_u	138	138	15.52
3	Π_u	138	138	15.52

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		1.2978	1.2978
C2	1.2978		2.5956
C3	1.2978	2.5956

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

using model chemistry: B2PLYP/6-311G*

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	-0.020
2	C	0.010
3	C	0.010

<r²>	31.791
(<r²>)^1/2	5.638

Number	Element	Mulliken
1	C	-0.020
2	C	0.010
3	C	0.010

	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: B2PLYP/6-311G*

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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