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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	-12.130385
Energy at 298.15K	-12.130219
HF Energy	-11.975459
Nuclear repulsion energy	12.416009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	3005	35.52
2	A₁	1564	1526	99.99
3	A₁	1265	1235	12.04
4	B₁	812	792	144.99
5	B₂	3191	3114	5.61
6	B₂	461	450	6.67

Atom	y (Å)	z (Å)
C1	0.000	-0.498
C2	0.000	0.850
H3	0.945	-1.053
H4	-0.945	-1.053

	C1	C2	H3	H4
C1		1.3481	1.0959	1.0959
C2	1.3481		2.1248	2.1248
H3	1.0959	2.1248		1.8900
H4	1.0959	2.1248	1.8900

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2/CEP-121G

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	-12.065721
Energy at 298.15K	-12.065837
HF Energy	-11.956255
Nuclear repulsion energy	12.379497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3059	2986	5.75
2	A₁	1506	1470	0.08
3	A₁	1396	1362	8.26
4	B₁	920	898	51.44
5	B₂	3164	3088	14.21
6	B₂	1044	1019	6.44

Atom	y (Å)	z (Å)
C1	0.000	-0.499
C2	0.000	0.855
H3	0.936	-1.068
H4	-0.936	-1.068

	C1	C2	H3	H4
C1		1.3540	1.0955	1.0955
C2	1.3540		2.1389	2.1389
H3	1.0955	2.1389		1.8720
H4	1.0955	2.1389	1.8720

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.424		C2	C1	H4	120.424
H3	C1	H4	119.151

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2/CEP-121G

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)