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State	Conformation	minimum conformation	conformer description	state description
1	1	no	D*H	¹Σ_g
1	2	yes	C2V	¹A₁

	hartrees
Energy at 0K	-113.745605
Energy at 298.15K
HF Energy	-113.359656
Nuclear repulsion energy	36.395833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	1205	1157
2	Σ_u	2110	2025
3	Π_u	119i	114i
3	Π_u	119i	114i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.308
C3	0.000	0.000	-1.308

	C1	C2	C3
C1		1.3082	1.3082
C2	1.3082		2.6165
C3	1.3082	2.6165

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

using model chemistry: CCSD(T)/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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-113.745650
Energy at 298.15K
HF Energy	-113.359444
Nuclear repulsion energy	36.429903

	C1	C2	C3
C1		1.3087	1.3087
C2	1.3087		2.6035
C3	1.3087	2.6035

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

using model chemistry: CCSD(T)/6-31+G**

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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