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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	-114.076234
Energy at 298.15K
HF Energy	-114.076234
Nuclear repulsion energy	36.730910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1220	1220	0.00
2	Σ_u	2126	2126	792.59
3	Π_u	63	63	13.68
3	Π_u	63	63	13.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.297
C3	0.000	0.000	-1.297

	C1	C2	C3
C1		1.2966	1.2966
C2	1.2966		2.5932
C3	1.2966	2.5932

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

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	0.017
2	C	-0.008
3	C	-0.008

<r²>	31.630
(<r²>)^1/2	5.624

	C1	C2	C3
C1		1.2967	1.2967
C2	1.2967		2.5935
C3	1.2967	2.5935

Number	Element	Mulliken
1	C	0.016
2	C	-0.008
3	C	-0.008

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

using model chemistry: TPSSh/6-311G**

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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