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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	-77.039664
Energy at 298.15K	-77.039118
HF Energy	-76.772805
Nuclear repulsion energy	23.808136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3204	3026	55.17
2	A₁	1688	1594	79.59
3	A₁	1220	1152	21.67
4	B₁	743	702	76.47
5	B₂	3304	3121	28.02
6	B₂	167	158	4.43

Atom	y (Å)	z (Å)
C1	0.000	-0.481
C2	0.000	0.823
H3	0.938	-1.026
H4	-0.938	-1.026

	C1	C2	H3	H4
C1		1.3039	1.0850	1.0850
C2	1.3039		2.0732	2.0732
H3	1.0850	2.0732		1.8766
H4	1.0850	2.0732	1.8766

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2/6-31G(2df,p)

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	-76.961765
Energy at 298.15K	-76.961889
HF Energy	-76.740285
Nuclear repulsion energy	23.849101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	2986	1.14
2	A₁	1650	1558	3.12
3	A₁	1437	1357	5.12
4	B₁	967	913	29.22
5	B₂	3251	3071	1.72
6	B₂	1022	965	1.81

Atom	y (Å)	z (Å)
C1	0.000	-0.476
C2	0.000	0.823
H3	0.928	-1.041
H4	-0.928	-1.041

	C1	C2	H3	H4
C1		1.2986	1.0867	1.0867
C2	1.2986		2.0819	2.0819
H3	1.0867	2.0819		1.8567
H4	1.0867	2.0819	1.8567

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.141		C2	C1	H4	120.141
H3	C1	H4	119.719

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)