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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	-77.054823
Energy at 298.15K	-77.054574
HF Energy	-76.784275
Nuclear repulsion energy	23.720922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3019	32.69
2	A₁	1691	1615	76.74
3	A₁	1248	1192	15.33
4	B₁	773	738	84.67
5	B₂	3256	3110	10.37
6	B₂	387	369	8.27

Atom	y (Å)	z (Å)
C1	0.000	-0.483
C2	0.000	0.826
H3	0.942	-1.028
H4	-0.942	-1.028

	C1	C2	H3	H4
C1		1.3091	1.0885	1.0885
C2	1.3091		2.0795	2.0795
H3	1.0885	2.0795		1.8848
H4	1.0885	2.0795	1.8848

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CCD/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	-76.977452
Energy at 298.15K	-76.977568
HF Energy	-76.752135
Nuclear repulsion energy	23.654518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	2973	4.19
2	A₁	1593	1521	3.50
3	A₁	1434	1369	5.70
4	B₁	930	888	30.61
5	B₂	3197	3053	6.21
6	B₂	1022	976	1.69

Atom	y (Å)	z (Å)
C1	0.000	-0.482
C2	0.000	0.830
H3	0.934	-1.046
H4	-0.934	-1.046

	C1	C2	H3	H4
C1		1.3120	1.0909	1.0909
C2	1.3120		2.0958	2.0958
H3	1.0909	2.0958		1.8671
H4	1.0909	2.0958	1.8671

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.025		C2	C1	H4	120.025
H3	C1	H4	119.951

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CCD/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)