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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	-113.840065
Energy at 298.15K
HF Energy	-113.390015
Nuclear repulsion energy	36.882517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1218	1158	0.00
2	Σ_u	2182	2076	532.05
3	Π_u	183	175	28.12
3	Π_u	183	175	28.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.291
C3	0.000	0.000	-1.291

	C1	C2	C3
C1		1.2913	1.2913
C2	1.2913		2.5826
C3	1.2913	2.5826

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C3 (carbon trimer)

using model chemistry: MP2=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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