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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	-77.069284
Energy at 298.15K	-77.068972
HF Energy	-76.783840
Nuclear repulsion energy	23.625784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3129	3018
2	A₁	1650	1591
3	A₁	1225	1181
4	B₁	735	709
5	B₂	3222	3109
6	B₂	342	330

Atom	y (Å)	z (Å)
C1	0.000	-0.485
C2	0.000	0.830
H3	0.943	-1.034
H4	-0.943	-1.034

	C1	C2	H3	H4
C1		1.3151	1.0911	1.0911
C2	1.3151		2.0889	2.0889
H3	1.0911	2.0889		1.8860
H4	1.0911	2.0889	1.8860

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CCSD(T)/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	-76.999813
Energy at 298.15K	-76.999878
Nuclear repulsion energy	23.388231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3063	2955
2	A₁	1550	1495
3	A₁	1412	1362
4	B₁	773	746
5	B₂	3146	3035
6	B₂	1000	964

Atom	y (Å)	z (Å)
C1	0.000	-0.491
C2	0.000	0.842
H3	0.938	-1.054
H4	-0.938	-1.054

	C1	C2	H3	H4
C1		1.3325	1.0938	1.0938
C2	1.3325		2.1147	2.1147
H3	1.0938	2.1147		1.8757
H4	1.0938	2.1147	1.8757

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.201		C2	C1	H4	120.201
H3	C1	H4	119.597

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CCSD(T)/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)