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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	-77.050492
Energy at 298.15K	-77.050150
HF Energy	-76.780285
Nuclear repulsion energy	23.775989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3000	50.00
2	A₁	1688	1598	88.53
3	A₁	1241	1176	24.52
4	B₁	733	694	106.75
5	B₂	3266	3093	21.62
6	B₂	319	302	4.42

Atom	y (Å)	z (Å)
C1	0.000	-0.481
C2	0.000	0.824
H3	0.941	-1.027
H4	-0.941	-1.027

	C1	C2	H3	H4
C1		1.3049	1.0878	1.0878
C2	1.3049		2.0765	2.0765
H3	1.0878	2.0765		1.8814
H4	1.0878	2.0765	1.8814

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2=FULL/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	-76.974271
Energy at 298.15K	-76.974393
HF Energy	-76.748090
Nuclear repulsion energy	23.757829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	2967	3.12
2	A₁	1624	1538	2.51
3	A₁	1447	1370	7.52
4	B₁	948	898	39.16
5	B₂	3223	3053	4.05
6	B₂	1037	982	3.85

Atom	y (Å)	z (Å)
C1	0.000	-0.479
C2	0.000	0.826
H3	0.931	-1.043
H4	-0.931	-1.043

	C1	C2	H3	H4
C1		1.3049	1.0886	1.0886
C2	1.3049		2.0883	2.0883
H3	1.0886	2.0883		1.8617
H4	1.0886	2.0883	1.8617

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.143		C2	C1	H4	120.143
H3	C1	H4	119.715

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2=FULL/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)