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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	-114.056610
Energy at 298.15K
HF Energy	-114.056610
Nuclear repulsion energy	36.608561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1242	1204	0.00
2	Σ_u	2158	2093	771.55
3	Π_u	168	163	16.79
3	Π_u	168	163	16.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.301
C3	0.000	0.000	-1.301

	C1	C2	C3
C1		1.3010	1.3010
C2	1.3010		2.6019
C3	1.3010	2.6019

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

using model chemistry: B3LYPultrafine/cc-pVDZ

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	0.106
2	C	-0.053
3	C	-0.053

<r²>	31.740
(<r²>)^1/2	5.634

	C1	C2	C3
C1		1.3009	1.3009
C2	1.3009		2.6019
C3	1.3009	2.6019

Number	Element	Mulliken
1	C	0.106
2	C	-0.053
3	C	-0.053

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

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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