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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	-77.035345
Energy at 298.15K	-77.034893
HF Energy	-76.791664
Nuclear repulsion energy	23.883244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3016	53.44
2	A₁	1700	1612	87.73
3	A₁	1234	1170	21.46
4	B₁	721	683	103.40
5	B₂	3281	3111	23.61
6	B₂	234	222	7.32

Atom	y (Å)	z (Å)
C1	0.000	-0.479
C2	0.000	0.819
H3	0.941	-1.019
H4	-0.941	-1.019

	C1	C2	H3	H4
C1		1.2983	1.0848	1.0848
C2	1.2983		2.0651	2.0651
H3	1.0848	2.0651		1.8815
H4	1.0848	2.0651	1.8815

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2/TZVP

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	-76.958904
Energy at 298.15K	-76.959026
HF Energy	-76.758269
Nuclear repulsion energy	23.849618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	2980	3.14
2	A₁	1638	1552	2.42
3	A₁	1450	1375	5.25
4	B₁	948	899	32.99
5	B₂	3232	3064	3.04
6	B₂	1025	972	3.37

Atom	y (Å)	z (Å)
C1	0.000	-0.476
C2	0.000	0.823
H3	0.928	-1.040
H4	-0.928	-1.040

	C1	C2	H3	H4
C1		1.2991	1.0858	1.0858
C2	1.2991		2.0809	2.0809
H3	1.0858	2.0809		1.8565
H4	1.0858	2.0809	1.8565

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	119.861		C2	C1	H4	119.861
H3	C1	H4	120.279

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2/TZVP

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)