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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	-114.038326
Energy at 298.15K
HF Energy	-114.038326
Nuclear repulsion energy	37.012415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1248	1196	0.00
2	Σ_u	2159	2069	930.15
3	Π_u	60	57	17.40
3	Π_u	60	57	17.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.287
C3	0.000	0.000	-1.287

	C1	C2	C3
C1		1.2868	1.2868
C2	1.2868		2.5735
C3	1.2868	2.5735

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

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	0.751
2	C	-0.375
3	C	-0.375

<r²>	31.442
(<r²>)^1/2	5.607

Number	Element	Mulliken
1	C	0.751
2	C	-0.375
3	C	-0.375

<r²>	31.442
(<r²>)^1/2	5.607

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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