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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	-113.740250
Energy at 298.15K
HF Energy	-113.388228
Nuclear repulsion energy	37.107145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1294	1210	0.00
2	Σ_u	2248	2102	991.44
3	Π_u	201i	188i	7.12
3	Π_u	201i	188i	7.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.283
C3	0.000	0.000	-1.283

	C1	C2	C3
C1		1.2835	1.2835
C2	1.2835		2.5669
C3	1.2835	2.5669

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

using model chemistry: MP3/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	-113.740553
Energy at 298.15K
HF Energy	-113.387672
Nuclear repulsion energy	37.210762

	C1	C2	C3
C1		1.2839	1.2839
C2	1.2839		2.5285
C3	1.2839	2.5285

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

using model chemistry: MP3/TZVP

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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