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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	-77.069715
Energy at 298.15K	-77.069396
HF Energy	-76.783805
Nuclear repulsion energy	23.619269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3128	3128
2	A₁	1648	1648
3	A₁	1223	1223
4	B₁	733	733
5	B₂	3221	3221
6	B₂	338	338

Atom	y (Å)	z (Å)
C1	0.000	-0.485
C2	0.000	0.830
H3	0.943	-1.035
H4	-0.943	-1.035

	C1	C2	H3	H4
C1		1.3155	1.0912	1.0912
C2	1.3155		2.0898	2.0898
H3	1.0912	2.0898		1.8855
H4	1.0912	2.0898	1.8855

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: QCISD(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	-77.000370
Energy at 298.15K	-77.000432
Nuclear repulsion energy	23.380564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3062	3062
2	A₁	1549	1549
3	A₁	1411	1411
4	B₁	765	765
5	B₂	3144	3144
6	B₂	998	998

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		1.3331	1.0939	1.0939
C2	1.3331		2.1152	2.1152
H3	1.0939	2.1152		1.8761
H4	1.0939	2.1152	1.8761

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.239		C2	C1	H4	120.239
H3	C1	H4	119.523

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: QCISD(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)