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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	-113.707874
Energy at 298.15K
HF Energy	-113.361670
Nuclear repulsion energy	36.858441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1295	1205	0.00
2	Σ_u	2248	2092	974.92
3	Π_u	97i	91i	6.47
3	Π_u	97i	91i	6.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.292
C3	0.000	0.000	-1.292

	C1	C2	C3
C1		1.2921	1.2921
C2	1.2921		2.5843
C3	1.2921	2.5843

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

using model chemistry: MP3/6-31+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	-113.707891
Energy at 298.15K
HF Energy	-113.361548
Nuclear repulsion energy	36.870949

	C1	C2	C3
C1		1.2924	1.2924
C2	1.2924		2.5781
C3	1.2924	2.5781

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

using model chemistry: MP3/6-31+G**

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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