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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	-112.465380
Energy at 298.15K
HF Energy	-112.465380
Nuclear repulsion energy	36.086227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1286	1135	0.00
2	Σ_u	2166	1913	869.75
3	Π_u	168	149	5.43
3	Π_u	168	149	5.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.320
C3	0.000	0.000	-1.320

	C1	C2	C3
C1		1.3198	1.3198
C2	1.3198		2.6396
C3	1.3198	2.6396

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.210
2	C	0.105
3	C	0.105

<r²>	30.896
(<r²>)^1/2	5.558

	C1	C2	C3
C1		1.3197	1.3197
C2	1.3197		2.6393
C3	1.3197	2.6393

Number	Element	Mulliken
1	C	-0.210
2	C	0.105
3	C	0.105

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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