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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	-77.003704
Energy at 298.15K	-77.003233
HF Energy	-76.772645
Nuclear repulsion energy	23.549470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3029	48.73
2	A₁	1684	1604	84.73
3	A₁	1203	1145	20.40
4	B₁	717	683	83.00
5	B₂	3289	3133	27.34
6	B₂	224	213	5.61

Atom	y (Å)	z (Å)
C1	0.000	-0.487
C2	0.000	0.831
H3	0.953	-1.032
H4	-0.953	-1.032

	C1	C2	H3	H4
C1		1.3182	1.0976	1.0976
C2	1.3182		2.0925	2.0925
H3	1.0976	2.0925		1.9059
H4	1.0976	2.0925	1.9059

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2/cc-pVDZ

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	-76.929511
Energy at 298.15K	-76.929624
HF Energy	-76.741018
Nuclear repulsion energy	23.548131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	2995	1.95
2	A₁	1617	1540	3.78
3	A₁	1415	1348	6.32
4	B₁	926	882	30.02
5	B₂	3244	3090	2.43
6	B₂	1013	965	2.04

Atom	y (Å)	z (Å)
C1	0.000	-0.483
C2	0.000	0.833
H3	0.942	-1.049
H4	-0.942	-1.049

	C1	C2	H3	H4
C1		1.3164	1.0988	1.0988
C2	1.3164		2.1050	2.1050
H3	1.0988	2.1050		1.8835
H4	1.0988	2.1050	1.8835

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	119.750		C2	C1	H4	119.750
H3	C1	H4	120.499

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2/cc-pVDZ

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)