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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	-76.912965
Energy at 298.15K	-76.912902
HF Energy	-76.733788
Nuclear repulsion energy	23.413252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3014	23.51
2	A₁	1653	1586	71.41
3	A₁	1319	1266	12.24
4	B₁	865	830	113.19
5	B₂	3228	3097	3.10
6	B₂	583	559	5.76

Atom	y (Å)	z (Å)
C1	0.000	-0.489
C2	0.000	0.841
H3	0.937	-1.054
H4	-0.937	-1.054

	C1	C2	H3	H4
C1		1.3302	1.0939	1.0939
C2	1.3302		2.1138	2.1138
H3	1.0939	2.1138		1.8737
H4	1.0939	2.1138	1.8737

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CCD/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	-76.850434
Energy at 298.15K	-76.850559
HF Energy	-76.713915
Nuclear repulsion energy	23.330814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	2966	4.67
2	A₁	1558	1495	0.41
3	A₁	1456	1397	6.58
4	B₁	948	910	46.16
5	B₂	3166	3038	14.95
6	B₂	1068	1024	3.41

Atom	y (Å)	z (Å)
C1	0.000	-0.490
C2	0.000	0.846
H3	0.931	-1.068
H4	-0.931	-1.068

	C1	C2	H3	H4
C1		1.3351	1.0960	1.0960
C2	1.3351		2.1277	2.1277
H3	1.0960	2.1277		1.8625
H4	1.0960	2.1277	1.8625

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	121.080		C2	C1	H4	121.080
H3	C1	H4	117.840

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CCD/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)