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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	-113.393894
Energy at 298.15K	-113.390241
HF Energy	-113.393894
Nuclear repulsion energy	37.460591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1348	1222	0.00
2	Σ_u	2275	2062	1533.52
3	Π_u	92	84	4.38
3	Π_u	92	84	4.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.269
C3	0.000	0.000	-1.269

	C1	C2	C3
C1		1.2695	1.2695
C2	1.2695		2.5389
C3	1.2695	2.5389

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

using model chemistry: HF/Def2TZVPP

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	1222	0.00
2	A₁	92	84	4.38
3	B₂	2275	2062	1533.52
3	Π_u	92	84	4.38	0.00	0.00	0.00

Number	Element	Mulliken
1	C	-0.044
2	C	0.022
3	C	0.022

<r²>	31.004
(<r²>)^1/2	5.568

	C1	C2	C3
C1		1.2680	1.2680
C2	1.2680		2.5117
C3	1.2680	2.5117

Number	Element	Mulliken
1	C	-0.044
2	C	0.022
3	C	0.022

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

using model chemistry: HF/Def2TZVPP

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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