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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	-77.058960
Energy at 298.15K	-77.058701
HF Energy	-76.784101
Nuclear repulsion energy	23.680168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	3006	31.77
2	A₁	1675	1598	75.73
3	A₁	1240	1183	17.51
4	B₁	763	728	84.75
5	B₂	3244	3095	10.71
6	B₂	382	364	7.54

Atom	y (Å)	z (Å)
C1	0.000	-0.484
C2	0.000	0.828
H3	0.941	-1.032
H4	-0.941	-1.032

	C1	C2	H3	H4
C1		1.3118	1.0892	1.0892
C2	1.3118		2.0844	2.0844
H3	1.0892	2.0844		1.8826
H4	1.0892	2.0844	1.8826

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: QCISD/6-311G**

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	-76.991123
Energy at 298.15K	-76.991199
HF Energy	-76.752685
Nuclear repulsion energy	23.426516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3084	2942	4.59
2	A₁	1560	1489	4.18
3	A₁	1421	1356	2.85
4	B₁	800	763	17.62
5	B₂	3166	3021	7.10
6	B₂	1008	962	1.89

Atom	y (Å)	z (Å)
C1	0.000	-0.490
C2	0.000	0.840
H3	0.936	-1.052
H4	-0.936	-1.052

	C1	C2	H3	H4
C1		1.3301	1.0922	1.0922
C2	1.3301		2.1114	2.1114
H3	1.0922	2.1114		1.8727
H4	1.0922	2.1114	1.8727

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.205		C2	C1	H4	120.205
H3	C1	H4	119.590

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: QCISD/6-311G**

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)