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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	-77.016377
Energy at 298.15K	-77.015970
HF Energy	-76.776756
Nuclear repulsion energy	23.551750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3030	51.36
2	A₁	1670	1602	90.13
3	A₁	1210	1161	17.49
4	B₁	735	705	79.45
5	B₂	3267	3133	19.26
6	B₂	264	253	11.74

Atom	y (Å)	z (Å)
C1	0.000	-0.488
C2	0.000	0.831
H3	0.953	-1.031
H4	-0.953	-1.031

	C1	C2	H3	H4
C1		1.3187	1.0965	1.0965
C2	1.3187		2.0913	2.0913
H3	1.0965	2.0913		1.9051
H4	1.0965	2.0913	1.9051

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2/aug-cc-pVDZ

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	-76.939217
Energy at 298.15K	-76.939337
HF Energy	-76.743266
Nuclear repulsion energy	23.561645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3004	2.92
2	A₁	1617	1551	2.98
3	A₁	1419	1361	5.84
4	B₁	949	910	29.87
5	B₂	3232	3099	1.83
6	B₂	1014	972	1.29

Atom	y (Å)	z (Å)
C1	0.000	-0.484
C2	0.000	0.833
H3	0.941	-1.047
H4	-0.941	-1.047

	C1	C2	H3	H4
C1		1.3165	1.0968	1.0968
C2	1.3165		2.1024	2.1024
H3	1.0968	2.1024		1.8819
H4	1.0968	2.1024	1.8819

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	119.687		C2	C1	H4	119.687
H3	C1	H4	120.626

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)