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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	-77.001159
Energy at 298.15K	-77.000825
HF Energy	-76.767002
Nuclear repulsion energy	23.763994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3029	43.87
2	A₁	1711	1603	78.29
3	A₁	1266	1186	16.69
4	B₁	758	710	93.36
5	B₂	3335	3123	18.31
6	B₂	317	297	4.37

Atom	y (Å)	z (Å)
C1	0.000	-0.483
C2	0.000	0.826
H3	0.936	-1.028
H4	-0.936	-1.028

	C1	C2	H3	H4
C1		1.3084	1.0830	1.0830
C2	1.3084		2.0764	2.0764
H3	1.0830	2.0764		1.8717
H4	1.0830	2.0764	1.8717

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2/6-31G**

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	-76.928095
Energy at 298.15K	-76.928219
HF Energy	-76.736896
Nuclear repulsion energy	23.759734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	2990	2.98
2	A₁	1641	1537	3.12
3	A₁	1468	1375	4.49
4	B₁	950	889	32.18
5	B₂	3286	3077	5.95
6	B₂	1047	980	2.12

Atom	y (Å)	z (Å)
C1	0.000	-0.480
C2	0.000	0.827
H3	0.927	-1.043
H4	-0.927	-1.043

	C1	C2	H3	H4
C1		1.3069	1.0845	1.0845
C2	1.3069		2.0874	2.0874
H3	1.0845	2.0874		1.8531
H4	1.0845	2.0874	1.8531

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.222		C2	C1	H4	120.222
H3	C1	H4	119.556

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2/6-31G**

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)