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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	¹A₁
2	1	yes	C2V	³B₂

	hartrees
Energy at 0K	-77.081323
Energy at 298.15K	-77.080806
HF Energy	-76.794839
Nuclear repulsion energy	23.874653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3012	58.11
2	A₁	1685	1605	90.52
3	A₁	1210	1153	19.61
4	B₁	719	685	76.66
5	B₂	3258	3104	24.33
6	B₂	190	181	11.00

Atom	y (Å)	z (Å)
C1	0.000	-0.480
C2	0.000	0.819
H3	0.943	-1.016
H4	-0.943	-1.016

	C1	C2	H3	H4
C1		1.2994	1.0845	1.0845
C2	1.2994		2.0634	2.0634
H3	1.0845	2.0634		1.8854
H4	1.0845	2.0634	1.8854

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2/aug-cc-pVTZ

States and conformations

State 1 (¹A₁)

State 2 (³B₂)

	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	-77.000172
Energy at 298.15K	-77.000298
HF Energy	-76.759671
Nuclear repulsion energy	23.906181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	2980	2.39
2	A₁	1661	1583	2.23
3	A₁	1430	1362	5.88
4	B₁	968	923	29.11
5	B₂	3214	3062	1.01
6	B₂	1017	969	1.58

Atom	y (Å)	z (Å)
C1	0.000	-0.475
C2	0.000	0.820
H3	0.930	-1.034
H4	-0.930	-1.034

	C1	C2	H3	H4
C1		1.2952	1.0851	1.0851
C2	1.2952		2.0744	2.0744
H3	1.0851	2.0744		1.8600
H4	1.0851	2.0744	1.8600

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	119.626		C2	C1	H4	119.626
H3	C1	H4	120.748

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2/aug-cc-pVTZ

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)