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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	-77.066135
Energy at 298.15K	-77.065873
HF Energy	-76.772728
Nuclear repulsion energy	23.782629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3197	3028	36.99
2	A₁	1701	1612	70.78
3	A₁	1253	1187	15.73
4	B₁	790	749	69.61
5	B₂	3292	3118	14.25
6	B₂	371	351	6.13

Atom	y (Å)	z (Å)
C1	0.000	-0.481
C2	0.000	0.824
H3	0.937	-1.029
H4	-0.937	-1.029

	C1	C2	H3	H4
C1		1.3057	1.0852	1.0852
C2	1.3057		2.0765	2.0765
H3	1.0852	2.0765		1.8739
H4	1.0852	2.0765	1.8739

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CCD/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	-76.986570
Energy at 298.15K	-76.986692
HF Energy	-76.740666
Nuclear repulsion energy	23.773237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	2980	2.17
2	A₁	1626	1540	3.56
3	A₁	1441	1365	4.68
4	B₁	956	906	27.85
5	B₂	3230	3059	3.27
6	B₂	1029	974	1.23

Atom	y (Å)	z (Å)
C1	0.000	-0.478
C2	0.000	0.826
H3	0.929	-1.044
H4	-0.929	-1.044

	C1	C2	H3	H4
C1		1.3040	1.0877	1.0877
C2	1.3040		2.0879	2.0879
H3	1.0877	2.0879		1.8579
H4	1.0877	2.0879	1.8579

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.298		C2	C1	H4	120.298
H3	C1	H4	119.404

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CCD/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)