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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	-113.709428
Energy at 298.15K
HF Energy	-113.363891
Nuclear repulsion energy	36.466457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1261	1206	0.00
2	Σ_u	2196	2101	878.96
3	Π_u	134	128	9.20
3	Π_u	134	128	9.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.306
C3	0.000	0.000	-1.306

	C1	C2	C3
C1		1.3060	1.3060
C2	1.3060		2.6120
C3	1.3060	2.6120

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

using model chemistry: CCD/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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All results from a given calculation for C3 (carbon trimer)

using model chemistry: CCD/cc-pVDZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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