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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	-77.024660
Energy at 298.15K	-77.024443
HF Energy	-76.762406
Nuclear repulsion energy	23.599868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3152	3032
2	A₁	1678	1614
3	A₁	1270	1222
4	B₁	762	734
5	B₂	3236	3113
6	B₂	433	417

Atom	y (Å)	z (Å)
C1	0.000	-0.484
C2	0.000	0.832
H3	0.938	-1.043
H4	-0.938	-1.043

	C1	C2	H3	H4
C1		1.3161	1.0920	1.0920
C2	1.3161		2.0968	2.0968
H3	1.0920	2.0968		1.8759
H4	1.0920	2.0968	1.8759

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CCSD(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	-76.957385
Energy at 298.15K	-76.957458
HF Energy	-76.734088
Nuclear repulsion energy	23.390889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3084	2967
2	A₁	1584	1524
3	A₁	1440	1385
4	B₁	792	762
5	B₂	3159	3040
6	B₂	1027	988

Atom	y (Å)	z (Å)
C1	0.000	-0.489
C2	0.000	0.842
H3	0.935	-1.058
H4	-0.935	-1.058

	C1	C2	H3	H4
C1		1.3314	1.0947	1.0947
C2	1.3314		2.1177	2.1177
H3	1.0947	2.1177		1.8708
H4	1.0947	2.1177	1.8708

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.805		C2	C1	H4	120.805
H3	C1	H4	118.390

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CCSD(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)