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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	-113.990213
Energy at 298.15K	-113.986794
HF Energy	-113.990213
Nuclear repulsion energy	36.832511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1269	1203	0.00
2	Σ_u	2192	2079	824.84
3	Π_u	165	157	9.23
3	Π_u	165	157	9.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.293
C3	0.000	0.000	-1.293

	C1	C2	C3
C1		1.2933	1.2933
C2	1.2933		2.5866
C3	1.2933	2.5866

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

using model chemistry: wB97X-D/6-31G*

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	1269	1204	0.00
2	A₁	163	154	9.25
3	B₂	2193	2080	824.98
3	Π_u	163	154	9.26

Number	Element	Mulliken
1	C	-0.042
2	C	0.021
3	C	0.021

<r²>	31.187
(<r²>)^1/2	5.585

	C1	C2	C3
C1		1.2934	1.2934
C2	1.2934		2.5631
C3	1.2934	2.5631

Number	Element	Mulliken
1	C	-0.041
2	C	0.021
3	C	0.021

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

using model chemistry: wB97X-D/6-31G*

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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