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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	-112.996413
Energy at 298.15K
HF Energy	-112.715465
Nuclear repulsion energy	35.879351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	1054	1031
2	Σ_u	1929	1888
3	Π_u	70i	69i
3	Π_u	70i	69i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.327
C3	0.000	0.000	-1.327

	C1	C2	C3
C1		1.3271	1.3271
C2	1.3271		2.6542
C3	1.3271	2.6542

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

using model chemistry: MP4=FULL/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	-112.996427
Energy at 298.15K
HF Energy	-112.715255
Nuclear repulsion energy	35.914782

	C1	C2	C3
C1		1.3268	1.3268
C2	1.3268		2.6464
C3	1.3268	2.6464

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

using model chemistry: MP4=FULL/3-21G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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