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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	-76.499633
Energy at 298.15K	-76.499575
Nuclear repulsion energy	23.661063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	2960	31.16
2	A₁	1686	1568	70.44
3	A₁	1349	1255	16.98
4	B₁	878	817	123.45
5	B₂	3256	3030	9.56
6	B₂	583	543	3.47

Atom	y (Å)	z (Å)
C1	0.000	-0.483
C2	0.000	0.831
H3	0.932	-1.043
H4	-0.932	-1.043

	C1	C2	H3	H4
C1		1.3135	1.0874	1.0874
C2	1.3135		2.0928	2.0928
H3	1.0874	2.0928		1.8638
H4	1.0874	2.0928	1.8638

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CID/3-21G*

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	-76.442984
Energy at 298.15K	-76.443115
HF Energy	-76.312010
Nuclear repulsion energy	23.507684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	2896	2.55
2	A₁	1573	1464	0.00
3	A₁	1477	1375	7.52
4	B₁	956	890	50.15
5	B₂	3178	2957	9.16
6	B₂	1090	1014	3.62

Atom	y (Å)	z (Å)
C1	0.000	-0.485
C2	0.000	0.839
H3	0.926	-1.060
H4	-0.926	-1.060

	C1	C2	H3	H4
C1		1.3236	1.0904	1.0904
C2	1.3236		2.1126	2.1126
H3	1.0904	2.1126		1.8529
H4	1.0904	2.1126	1.8529

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	121.016		C2	C1	H4	121.016
H3	C1	H4	117.968

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CID/3-21G*

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)