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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	-77.008031
Energy at 298.15K	-77.007550
HF Energy	-76.772729
Nuclear repulsion energy	23.568340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3186	3028	49.32
2	A₁	1686	1603	85.00
3	A₁	1203	1144	20.64
4	B₁	719	683	83.17
5	B₂	3295	3132	27.80
6	B₂	216	206	5.53

Atom	y (Å)	z (Å)
C1	0.000	-0.487
C2	0.000	0.830
H3	0.952	-1.031
H4	-0.952	-1.031

	C1	C2	H3	H4
C1		1.3172	1.0966	1.0966
C2	1.3172		2.0908	2.0908
H3	1.0966	2.0908		1.9042
H4	1.0966	2.0908	1.9042

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2=FULL/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	-76.933691
Energy at 298.15K	-76.933806
HF Energy	-76.740985
Nuclear repulsion energy	23.567068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	2993	1.90
2	A₁	1621	1541	3.71
3	A₁	1417	1346	6.35
4	B₁	929	883	30.13
5	B₂	3250	3088	2.33
6	B₂	1013	962	2.10

Atom	y (Å)	z (Å)
C1	0.000	-0.483
C2	0.000	0.832
H3	0.941	-1.049
H4	-0.941	-1.049

	C1	C2	H3	H4
C1		1.3154	1.0979	1.0979
C2	1.3154		2.1034	2.1034
H3	1.0979	2.1034		1.8817
H4	1.0979	2.1034	1.8817

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	119.753		C2	C1	H4	119.753
H3	C1	H4	120.495

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2=FULL/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)