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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	-77.010328
Energy at 298.15K	-77.009995
HF Energy	-76.767077
Nuclear repulsion energy	23.789984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3023	44.60
2	A₁	1716	1603	78.76
3	A₁	1268	1185	17.00
4	B₁	760	711	93.49
5	B₂	3336	3117	18.77
6	B₂	317	296	4.25

Atom	y (Å)	z (Å)
C1	0.000	-0.482
C2	0.000	0.825
H3	0.935	-1.027
H4	-0.935	-1.027

	C1	C2	H3	H4
C1		1.3067	1.0823	1.0823
C2	1.3067		2.0745	2.0745
H3	1.0823	2.0745		1.8701
H4	1.0823	2.0745	1.8701

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2=FULL/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	-76.937308
Energy at 298.15K	-76.937433
HF Energy	-76.736791
Nuclear repulsion energy	23.785987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	2985	2.93
2	A₁	1647	1539	3.01
3	A₁	1471	1374	4.52
4	B₁	953	891	32.34
5	B₂	3288	3073	5.82
6	B₂	1047	979	2.19

Atom	y (Å)	z (Å)
C1	0.000	-0.479
C2	0.000	0.826
H3	0.926	-1.042
H4	-0.926	-1.042

	C1	C2	H3	H4
C1		1.3053	1.0836	1.0836
C2	1.3053		2.0853	2.0853
H3	1.0836	2.0853		1.8513
H4	1.0836	2.0853	1.8513

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.238		C2	C1	H4	120.238
H3	C1	H4	119.524

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2=FULL/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)