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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	-113.960495
Energy at 298.15K
HF Energy	-113.960495
Nuclear repulsion energy	36.629576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1247	1247	0.00
2	Σ_u	2183	2183	840.94
3	Π_u	219	219	4.11
3	Π_u	219	219	4.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.300
C3	0.000	0.000	-1.300

	C1	C2	C3
C1		1.3002	1.3002
C2	1.3002		2.6004
C3	1.3002	2.6004

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

using model chemistry: wB97X-D/6-31G

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	-0.271
2	C	0.136
3	C	0.136

<r²>	31.504
(<r²>)^1/2	5.613

Number	Element	Mulliken
1	C	-0.271
2	C	0.136
3	C	0.136

	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: wB97X-D/6-31G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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