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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	-77.069989
Energy at 298.15K	-77.069715
HF Energy	-76.772593
Nuclear repulsion energy	23.744013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3018	36.08
2	A₁	1686	1597	70.02
3	A₁	1245	1180	18.00
4	B₁	779	738	70.15
5	B₂	3278	3106	14.27
6	B₂	363	344	5.54

Atom	y (Å)	z (Å)
C1	0.000	-0.482
C2	0.000	0.826
H3	0.936	-1.032
H4	-0.936	-1.032

	C1	C2	H3	H4
C1		1.3082	1.0859	1.0859
C2	1.3082		2.0810	2.0810
H3	1.0859	2.0810		1.8724
H4	1.0859	2.0810	1.8724

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: QCISD/6-31G(2df,p)

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	-77.000284
Energy at 298.15K	-77.000368
HF Energy	-76.741494
Nuclear repulsion energy	23.535666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3115	2951	2.47
2	A₁	1586	1502	4.13
3	A₁	1427	1352	2.22
4	B₁	822	779	17.24
5	B₂	3197	3029	4.04
6	B₂	1014	961	1.36

Atom	y (Å)	z (Å)
C1	0.000	-0.486
C2	0.000	0.836
H3	0.932	-1.051
H4	-0.932	-1.051

	C1	C2	H3	H4
C1		1.3226	1.0892	1.0892
C2	1.3226		2.1044	2.1044
H3	1.0892	2.1044		1.8632
H4	1.0892	2.1044	1.8632

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.446		C2	C1	H4	120.446
H3	C1	H4	119.108

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)