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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	-76.491929
Energy at 298.15K	-76.491809
HF Energy	-76.333565
Nuclear repulsion energy	23.613074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3012	45.43
2	A₁	1642	1557	80.17
3	A₁	1330	1261	19.18
4	B₁	843	799	133.20
5	B₂	3258	3089	19.95
6	B₂	510	483	1.88

Atom	y (Å)	z (Å)
C1	0.000	-0.485
C2	0.000	0.833
H3	0.933	-1.044
H4	-0.933	-1.044

	C1	C2	H3	H4
C1		1.3172	1.0879	1.0879
C2	1.3172		2.0960	2.0960
H3	1.0879	2.0960		1.8657
H4	1.0879	2.0960	1.8657

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2=FULL/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	-76.430802
Energy at 298.15K	-76.430938
HF Energy	-76.311914
Nuclear repulsion energy	23.563398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	2971	1.67
2	A₁	1583	1500	0.00
3	A₁	1491	1413	7.59
4	B₁	976	925	53.21
5	B₂	3207	3040	6.94
6	B₂	1095	1038	4.42

Atom	y (Å)	z (Å)
C1	0.000	-0.484
C2	0.000	0.836
H3	0.925	-1.058
H4	-0.925	-1.058

	C1	C2	H3	H4
C1		1.3200	1.0886	1.0886
C2	1.3200		2.1081	2.1081
H3	1.0886	2.1081		1.8494
H4	1.0886	2.1081	1.8494

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.964		C2	C1	H4	120.964
H3	C1	H4	118.071

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2=FULL/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)