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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	-77.117476
Energy at 298.15K	-77.113391
Nuclear repulsion energy	23.987000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3327	3135	21.20
2	A₁	1848	1741	63.17
3	A₁	1384	1304	13.17
4	B₁	928	874	95.71
5	B₂	3411	3214	5.17
6	B₂	565	533	9.19

Atom	y (Å)	z (Å)
C1	0.000	-0.481
C2	0.000	0.825
H3	0.938	-1.032
H4	-0.938	-1.032

	C1	C2	H3	H4
C1		1.3069	1.0875	1.0875
C2	1.3069		2.0808	2.0808
H3	1.0875	2.0808		1.8758
H4	1.0875	2.0808	1.8758

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: G2

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	-77.038699
Energy at 298.15K	-77.034772
HF Energy	-76.734516
Nuclear repulsion energy	23.362407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3076	10.43
2	A₁	1606	1514	0.19
3	A₁	1412	1330	8.86
4	B₁	850	801	37.78
5	B₂	3346	3152	13.87
6	B₂	1094	1031	0.52

Atom	y (Å)	z (Å)
C1	0.000	-0.478
C2	0.000	0.827
H3	0.929	-1.047
H4	-0.929	-1.047

	C1	C2	H3	H4
C1		1.3056	1.0888	1.0888
C2	1.3056		2.0915	2.0915
H3	1.0888	2.0915		1.8574
H4	1.0888	2.0915	1.8574

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: G2

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)