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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	-76.900757
Energy at 298.15K	-76.900704
Nuclear repulsion energy	23.517351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	2977	25.92
2	A₁	1692	1582	72.98
3	A₁	1337	1250	14.42
4	B₁	883	826	120.50
5	B₂	3269	3057	4.12
6	B₂	589	551	5.82

Atom	y (Å)	z (Å)
C1	0.000	-0.487
C2	0.000	0.837
H3	0.934	-1.049
H4	-0.934	-1.049

	C1	C2	H3	H4
C1		1.3237	1.0903	1.0903
C2	1.3237		2.1045	2.1045
H3	1.0903	2.1045		1.8684
H4	1.0903	2.1045	1.8684

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CID/6-31G

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	-76.843378
Energy at 298.15K	-76.843503
HF Energy	-76.714065
Nuclear repulsion energy	23.340195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3122	2920	4.81
2	A₁	1562	1461	0.18
3	A₁	1456	1362	7.13
4	B₁	944	883	47.66
5	B₂	3196	2989	14.72
6	B₂	1075	1005	3.30

Atom	y (Å)	z (Å)
C1	0.000	-0.490
C2	0.000	0.846
H3	0.929	-1.066
H4	-0.929	-1.066

	C1	C2	H3	H4
C1		1.3360	1.0932	1.0932
C2	1.3360		2.1257	2.1257
H3	1.0932	2.1257		1.8585
H4	1.0932	2.1257	1.8585

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	121.036		C2	C1	H4	121.036
H3	C1	H4	117.928

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CID/6-31G

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)