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State	Conformation	minimum conformation	conformer description	state description
1	1	no	D*H	¹Σ_g
1	2	yes	C2V	¹A₁

	hartrees
Energy at 0K	-112.432241
Energy at 298.15K
HF Energy	-112.357716
Nuclear repulsion energy	35.815363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1213	1213	0.00
2	Σ_u	2107	2107	657.77
3	Π_u	185	185	7.94
3	Π_u	185	185	7.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.330
C3	0.000	0.000	-1.330

	C1	C2	C3
C1		1.3298	1.3298
C2	1.3298		2.6595
C3	1.3298	2.6595

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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: B2PLYP=FULLultrafine/STO-3G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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