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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	-77.025104
Energy at 298.15K	-77.024884
HF Energy	-76.762371
Nuclear repulsion energy	23.593142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3151	3023
2	A₁	1676	1608
3	A₁	1269	1217
4	B₁	760	729
5	B₂	3235	3103
6	B₂	430	413

Atom	y (Å)	z (Å)
C1	0.000	-0.484
C2	0.000	0.832
H3	0.938	-1.044
H4	-0.938	-1.044

	C1	C2	H3	H4
C1		1.3166	1.0921	1.0921
C2	1.3166		2.0977	2.0977
H3	1.0921	2.0977		1.8754
H4	1.0921	2.0977	1.8754

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: QCISD(T)/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	-76.957889
Energy at 298.15K	-76.957956
HF Energy	-76.734093
Nuclear repulsion energy	23.384715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3083	2957
2	A₁	1583	1519
3	A₁	1439	1381
4	B₁	775	744
5	B₂	3158	3030
6	B₂	1026	984

Atom	y (Å)	z (Å)
C1	0.000	-0.490
C2	0.000	0.842
H3	0.936	-1.058
H4	-0.936	-1.058

	C1	C2	H3	H4
C1		1.3318	1.0948	1.0948
C2	1.3318		2.1181	2.1181
H3	1.0948	2.1181		1.8712
H4	1.0948	2.1181	1.8712

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.841		C2	C1	H4	120.841
H3	C1	H4	118.319

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: QCISD(T)/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)