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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	-113.757614
Energy at 298.15K
HF Energy	-113.363833
Nuclear repulsion energy	35.957785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	1166	1140
2	Σ_u	2039	1994
3	Π_u	177i	174i
3	Π_u	177i	174i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.324
C3	0.000	0.000	-1.324

	C1	C2	C3
C1		1.3242	1.3242
C2	1.3242		2.6484
C3	1.3242	2.6484

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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	-113.758450
Energy at 298.15K
HF Energy	-113.364143
Nuclear repulsion energy	36.287689

	C1	C2	C3
C1		1.3256	1.3256
C2	1.3256		2.5251
C3	1.3256	2.5251

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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