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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	-77.031627
Energy at 298.15K	-77.031434
HF Energy	-76.766735
Nuclear repulsion energy	23.692218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3026	26.76
2	A₁	1704	1604	69.67
3	A₁	1284	1208	13.11
4	B₁	787	740	83.50
5	B₂	3309	3116	7.41
6	B₂	444	418	5.61

Atom	y (Å)	z (Å)
C1	0.000	-0.484
C2	0.000	0.829
H3	0.934	-1.034
H4	-0.934	-1.034

	C1	C2	H3	H4
C1		1.3135	1.0839	1.0839
C2	1.3135		2.0845	2.0845
H3	1.0839	2.0845		1.8678
H4	1.0839	2.0845	1.8678

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: QCISD/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	-76.966230
Energy at 298.15K	-76.966315
HF Energy	-76.737868
Nuclear repulsion energy	23.477606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	2961	5.23
2	A₁	1601	1507	4.28
3	A₁	1457	1371	1.73
4	B₁	814	766	17.88
5	B₂	3230	3040	10.34
6	B₂	1036	975	1.56

Atom	y (Å)	z (Å)
C1	0.000	-0.489
C2	0.000	0.840
H3	0.930	-1.052
H4	-0.930	-1.052

	C1	C2	H3	H4
C1		1.3286	1.0870	1.0870
C2	1.3286		2.1080	2.1080
H3	1.0870	2.1080		1.8593
H4	1.0870	2.1080	1.8593

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.497		C2	C1	H4	120.497
H3	C1	H4	119.007

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: QCISD/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)