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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	-113.728415
Energy at 298.15K	-113.725014
HF Energy	-113.375969
Nuclear repulsion energy	36.517657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1194	1135	0.00
2	Σ_u	2149	2042	441.67
3	Π_u	172	163	19.56
3	Π_u	172	163	19.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.304
C3	0.000	0.000	-1.304

	C1	C2	C3
C1		1.3036	1.3036
C2	1.3036		2.6072
C3	1.3036	2.6072

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

using model chemistry: MP2/6-311G*

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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1194	1135	0.00
2	A₁	172	163	19.56
3	B₂	2149	2042	441.68
3	Π_u	172	163	19.56

	C1	C2	C3
C1		1.3043	1.3043
C2	1.3043		2.5857
C3	1.3043	2.5857

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

using model chemistry: MP2/6-311G*

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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