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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	-76.511245
Energy at 298.15K	-76.511180
HF Energy	-76.333310
Nuclear repulsion energy	23.564384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3054	28.59
2	A₁	1647	1601	69.27
3	A₁	1333	1296	14.41
4	B₁	860	836	116.25
5	B₂	3218	3129	7.94
6	B₂	578	562	3.42

Atom	y (Å)	z (Å)
C1	0.000	-0.485
C2	0.000	0.834
H3	0.934	-1.048
H4	-0.934	-1.048

	C1	C2	H3	H4
C1		1.3197	1.0905	1.0905
C2	1.3197		2.1011	2.1011
H3	1.0905	2.1011		1.8686
H4	1.0905	2.1011	1.8686

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CCD/3-21G

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	-76.449856
Energy at 298.15K	-76.449988
HF Energy	-76.311881
Nuclear repulsion energy	23.502422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	2996	2.47
2	A₁	1570	1527	0.10
3	A₁	1479	1438	7.08
4	B₁	960	934	48.61
5	B₂	3147	3060	9.43
6	B₂	1084	1054	3.72

Atom	y (Å)	z (Å)
C1	0.000	-0.484
C2	0.000	0.838
H3	0.928	-1.062
H4	-0.928	-1.062

	C1	C2	H3	H4
C1		1.3226	1.0930	1.0930
C2	1.3226		2.1143	2.1143
H3	1.0930	2.1143		1.8563
H4	1.0930	2.1143	1.8563

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	121.041		C2	C1	H4	121.041
H3	C1	H4	117.918

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CCD/3-21G

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)