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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	-77.014169
Energy at 298.15K	-77.013827
HF Energy	-76.780231
Nuclear repulsion energy	23.759176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3007	49.27
2	A₁	1683	1600	88.19
3	A₁	1241	1179	23.99
4	B₁	733	696	106.45
5	B₂	3262	3100	21.07
6	B₂	320	304	4.56

Atom	y (Å)	z (Å)
C1	0.000	-0.481
C2	0.000	0.824
H3	0.941	-1.029
H4	-0.941	-1.029

	C1	C2	H3	H4
C1		1.3056	1.0885	1.0885
C2	1.3056		2.0781	2.0781
H3	1.0885	2.0781		1.8818
H4	1.0885	2.0781	1.8818

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2/6-311G*

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	-76.938112
Energy at 298.15K	-76.938233
HF Energy	-76.748160
Nuclear repulsion energy	23.740963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	2975	3.20
2	A₁	1619	1538	2.52
3	A₁	1446	1374	7.46
4	B₁	946	899	38.89
5	B₂	3221	3061	4.21
6	B₂	1036	985	3.77

Atom	y (Å)	z (Å)
C1	0.000	-0.480
C2	0.000	0.827
H3	0.934	-1.041
H4	-0.934	-1.041

	C1	C2	H3	H4
C1		1.3071	1.0893	1.0893
C2	1.3071		2.0882	2.0882
H3	1.0893	2.0882		1.8677
H4	1.0893	2.0882	1.8677

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.187		C2	C1	H4	120.187
H3	C1	H4	119.626

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2/6-311G*

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)