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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	-77.035999
Energy at 298.15K	-77.035739
HF Energy	-76.772255
Nuclear repulsion energy	23.469507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3031	30.73
2	A₁	1677	1608	74.23
3	A₁	1224	1175	16.61
4	B₁	752	722	74.27
5	B₂	3260	3128	13.42
6	B₂	387	371	6.64

Atom	y (Å)	z (Å)
C1	0.000	-0.488
C2	0.000	0.835
H3	0.950	-1.041
H4	-0.950	-1.041

	C1	C2	H3	H4
C1		1.3234	1.0993	1.0993
C2	1.3234		2.1031	2.1031
H3	1.0993	2.1031		1.9003
H4	1.0993	2.1031	1.9003

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: QCISD/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	-76.969450
Energy at 298.15K	-76.969517
HF Energy	-76.741601
Nuclear repulsion energy	23.246353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3093	2968	3.56
2	A₁	1567	1504	4.88
3	A₁	1404	1347	2.61
4	B₁	778	746	15.07
5	B₂	3184	3054	5.15
6	B₂	1002	961	1.51

Atom	y (Å)	z (Å)
C1	0.000	-0.493
C2	0.000	0.846
H3	0.946	-1.060
H4	-0.946	-1.060

	C1	C2	H3	H4
C1		1.3396	1.1023	1.1023
C2	1.3396		2.1277	2.1277
H3	1.1023	2.1277		1.8912
H4	1.1023	2.1277	1.8912

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.189		C2	C1	H4	120.189
H3	C1	H4	119.621

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: QCISD/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)