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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	-111.906606
Energy at 298.15K
HF Energy	-111.906606
Nuclear repulsion energy	37.153851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	1471	1201	0.00	30.72	0.26	0.41
2	Σ_u	2362	1929	1479.92	0.00	0.00	0.00
3	Π_u	287	234	0.94	0.00	0.00	0.00
3	Π_u	287	234	0.94	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.282
C3	0.000	0.000	-1.282

	C1	C2	C3
C1		1.2819	1.2819
C2	1.2819		2.5637
C3	1.2819	2.5637

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

using model chemistry: HF/STO-3G

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)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1472	1202	0.00	30.71	0.26	0.41
2	A₁	286	233	0.94	0.00	0.74	0.85
3	B₂	2363	1930	1479.96	0.00	0.75	0.86

Number	Element	Mulliken
1	C	-0.344
2	C	0.172
3	C	0.172

<r²>	29.622
(<r²>)^1/2	5.443

	C1	C2	C3
C1		1.2818	1.2818
C2	1.2818		2.5635
C3	1.2818	2.5635

Number	Element	Mulliken
1	C	-0.344
2	C	0.172
3	C	0.172

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

using model chemistry: HF/STO-3G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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