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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	-112.942433
Energy at 298.15K
HF Energy	-112.721562
Nuclear repulsion energy	36.756952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1253	1179	0.00
2	Σ_u	2188	2059	823.69
3	Π_u	97i	91i	1.96
3	Π_u	97i	91i	1.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.296
C3	0.000	0.000	-1.296

	C1	C2	C3
C1		1.2957	1.2957
C2	1.2957		2.5914
C3	1.2957	2.5914

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

using model chemistry: CISD/3-21G

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	-112.942469
Energy at 298.15K
HF Energy	-112.720961
Nuclear repulsion energy	36.792626

	C1	C2	C3
C1		1.2956	1.2956
C2	1.2956		2.5796
C3	1.2956	2.5796

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

using model chemistry: CISD/3-21G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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