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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	-77.058103
Energy at 298.15K	-77.057851
HF Energy	-76.784154
Nuclear repulsion energy	23.692008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3153	31.22
2	A₁	1679	1679	76.22
3	A₁	1243	1243	16.81
4	B₁	768	768	84.22
5	B₂	3247	3247	10.41
6	B₂	386	386	7.83

Atom	y (Å)	z (Å)
C1	0.000	-0.484
C2	0.000	0.827
H3	0.942	-1.031
H4	-0.942	-1.031

	C1	C2	H3	H4
C1		1.3110	1.0889	1.0889
C2	1.3110		2.0830	2.0830
H3	1.0889	2.0830		1.8831
H4	1.0889	2.0830	1.8831

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CCSD/6-311G**

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	-76.990431
Energy at 298.15K	-76.990508
Nuclear repulsion energy	23.435427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3086	3086	4.72
2	A₁	1565	1565	4.17
3	A₁	1423	1423	2.92
4	B₁	802	802	16.94
5	B₂	3168	3168	7.17
6	B₂	1009	1009	1.81

Atom	y (Å)	z (Å)
C1	0.000	-0.489
C2	0.000	0.840
H3	0.936	-1.052
H4	-0.936	-1.052

	C1	C2	H3	H4
C1		1.3294	1.0920	1.0920
C2	1.3294		2.1111	2.1111
H3	1.0920	2.1111		1.8715
H4	1.0920	2.1111	1.8715

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.155		C2	C1	H4	120.155
H3	C1	H4	119.689

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CCSD/6-311G**

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)