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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	-77.033479
Energy at 298.15K	-77.033278
HF Energy	-76.768661
Nuclear repulsion energy	23.602656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3137	3010
2	A₁	1674	1607
3	A₁	1264	1213
4	B₁	760	729
5	B₂	3224	3093
6	B₂	446	428

Atom	y (Å)	z (Å)
C1	0.000	-0.484
C2	0.000	0.831
H3	0.941	-1.041
H4	-0.941	-1.041

	C1	C2	H3	H4
C1		1.3153	1.0934	1.0934
C2	1.3153		2.0953	2.0953
H3	1.0934	2.0953		1.8819
H4	1.0934	2.0953	1.8819

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CCSD(T)/6-31+G**

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	-76.963201
Energy at 298.15K	-76.963270
Nuclear repulsion energy	23.364587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3078	2954
2	A₁	1570	1506
3	A₁	1434	1376
4	B₁	775	743
5	B₂	3156	3029
6	B₂	1024	983

Atom	y (Å)	z (Å)
C1	0.000	-0.491
C2	0.000	0.843
H3	0.937	-1.057
H4	-0.937	-1.057

	C1	C2	H3	H4
C1		1.3336	1.0950	1.0950
C2	1.3336		2.1183	2.1183
H3	1.0950	2.1183		1.8748
H4	1.0950	2.1183	1.8748

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.619		C2	C1	H4	120.619
H3	C1	H4	118.763

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CCSD(T)/6-31+G**

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)