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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	-114.055887
Energy at 298.15K
HF Energy	-114.055887
Nuclear repulsion energy	36.724759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1242	1196	0.00
2	Σ_u	2152	2072	844.36
3	Π_u	186	179	11.33
3	Π_u	186	179	11.33

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		1.2968	1.2968
C2	1.2968		2.5937
C3	1.2968	2.5937

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

using model chemistry: B3LYPultrafine/6-31+G**

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	1.960
2	C	-0.980
3	C	-0.980

<r²>	31.896
(<r²>)^1/2	5.648

	C1	C2	C3
C1		1.2969	1.2969
C2	1.2969		2.5937
C3	1.2969	2.5937

Number	Element	Mulliken
1	C	1.960
2	C	-0.980
3	C	-0.980

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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