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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	-113.263775
Energy at 298.15K
HF Energy	-113.177598
Nuclear repulsion energy	36.550043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1188	1188	0.00
2	Σ_u	2121	2121	550.40
3	Π_u	126	126	6.63
3	Π_u	126	126	6.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.303
C3	0.000	0.000	-1.303

	C1	C2	C3
C1		1.3030	1.3030
C2	1.3030		2.6061
C3	1.3030	2.6061

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

using model chemistry: B2PLYP/3-21G

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	-0.291
2	C	0.145
3	C	0.145

<r²>	31.823
(<r²>)^1/2	5.641

Number	Element	Mulliken
1	C	-0.291
2	C	0.145
3	C	0.145

	x	y	z	Total
	0.000	0.000	0.001	0.001
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/3-21G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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