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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	-113.378370
Energy at 298.15K
HF Energy	-113.378370
Nuclear repulsion energy	37.356682

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	1348	1225	0.00	71.05	0.27	0.42
2	Σ_u	2284	2075	1459.37	0.00	0.00	0.00
3	Π_u	126	115	1.72	0.00	0.00	0.00
3	Π_u	126	115	1.72	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	1.275
C3	0.000	0.000	-1.275

	C1	C2	C3
C1		1.2749	1.2749
C2	1.2749		2.5498
C3	1.2749	2.5498

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

using model chemistry: HF/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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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	1348	1225	0.00	71.05	0.27	0.42
2	A₁	126	115	1.72	0.00	0.73	0.85
3	B₂	2284	2075	1459.37	0.00	0.75	0.86

Number	Element	Mulliken
1	C	-0.190
2	C	0.095
3	C	0.095

<r²>	31.016
(<r²>)^1/2	5.569

Number	Element	Mulliken
1	C	-0.190
2	C	0.095
3	C	0.095

<r²>	31.016
(<r²>)^1/2	5.569

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

using model chemistry: HF/6-311G**

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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