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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	-113.743041
Energy at 298.15K
HF Energy	-113.388068
Nuclear repulsion energy	37.046907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1277	1211	0.00
2	Σ_u	2218	2103	1000.54
3	Π_u	195i	185i	6.43
3	Π_u	195i	185i	6.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.286
C3	0.000	0.000	-1.286

	C1	C2	C3
C1		1.2856	1.2856
C2	1.2856		2.5711
C3	1.2856	2.5711

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

using model chemistry: CCD/TZVP

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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-113.743281
Energy at 298.15K
HF Energy	-113.387678
Nuclear repulsion energy	37.120297

	C1	C2	C3
C1		1.2858	1.2858
C2	1.2858		2.5441
C3	1.2858	2.5441

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

using model chemistry: CCD/TZVP

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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