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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	-77.103681
Energy at 298.15K	-77.103429
HF Energy	-76.793696
Nuclear repulsion energy	23.819146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3014	36.60
2	A₁	1689	1614	78.72
3	A₁	1245	1190	17.19
4	B₁	776	741	75.53
5	B₂	3244	3100	13.47
6	B₂	383	366	9.52

Atom	y (Å)	z (Å)
C1	0.000	-0.481
C2	0.000	0.823
H3	0.938	-1.025
H4	-0.938	-1.025

	C1	C2	H3	H4
C1		1.3034	1.0843	1.0843
C2	1.3034		2.0720	2.0720
H3	1.0843	2.0720		1.8757
H4	1.0843	2.0720	1.8757

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: QCISD/cc-pVTZ

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	-77.032384
Energy at 298.15K	-77.032473
HF Energy	-76.760335
Nuclear repulsion energy	23.581072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	2948	4.11
2	A₁	1580	1509	3.78
3	A₁	1425	1362	3.10
4	B₁	830	793	17.89
5	B₂	3165	3024	3.77
6	B₂	1014	969	1.46

Atom	y (Å)	z (Å)
C1	0.000	-0.486
C2	0.000	0.834
H3	0.932	-1.045
H4	-0.932	-1.045

	C1	C2	H3	H4
C1		1.3203	1.0871	1.0871
C2	1.3203		2.0979	2.0979
H3	1.0871	2.0979		1.8646
H4	1.0871	2.0979	1.8646

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.121		C2	C1	H4	120.121
H3	C1	H4	119.759

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: QCISD/cc-pVTZ

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)