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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	-77.117041
Energy at 298.15K	-77.116732
HF Energy	-76.793472
Nuclear repulsion energy	23.759477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3130	3051
2	A₁	1663	1621
3	A₁	1228	1197
4	B₁	748	729
5	B₂	3220	3139
6	B₂	340	331

Atom	y (Å)	z (Å)
C1	0.000	-0.482
C2	0.000	0.825
H3	0.940	-1.028
H4	-0.940	-1.028

	C1	C2	H3	H4
C1		1.3069	1.0865	1.0865
C2	1.3069		2.0771	2.0771
H3	1.0865	2.0771		1.8793
H4	1.0865	2.0771	1.8793

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CCSD(T)/cc-pVTZ

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	-77.044007
Energy at 298.15K	-77.044083
HF Energy	-76.760357
Nuclear repulsion energy	23.531334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3062	2985
2	A₁	1565	1526
3	A₁	1412	1376
4	B₁	796	776
5	B₂	3142	3063
6	B₂	1004	979

Atom	y (Å)	z (Å)
C1	0.000	-0.487
C2	0.000	0.836
H3	0.934	-1.046
H4	-0.934	-1.046

	C1	C2	H3	H4
C1		1.3234	1.0889	1.0889
C2	1.3234		2.1016	2.1016
H3	1.0889	2.1016		1.8688
H4	1.0889	2.1016	1.8688

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.134		C2	C1	H4	120.134
H3	C1	H4	119.731

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)