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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	-76.994645
Energy at 298.15K	-76.994482
HF Energy	-76.763111
Nuclear repulsion energy	23.780935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3226	2980	30.56
2	A₁	1752	1618	71.66
3	A₁	1306	1206	16.22
4	B₁	818	756	95.26
5	B₂	3312	3059	8.87
6	B₂	469	433	5.13

Atom	y (Å)	z (Å)
C1	0.000	-0.480
C2	0.000	0.825
H3	0.936	-1.032
H4	-0.936	-1.032

	C1	C2	H3	H4
C1		1.3050	1.0862	1.0862
C2	1.3050		2.0792	2.0792
H3	1.0862	2.0792		1.8712
H4	1.0862	2.0792	1.8712

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CID/6-31G*

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	-76.925645
Energy at 298.15K	-76.925764
HF Energy	-76.733627
Nuclear repulsion energy	23.645046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	2925	4.62
2	A₁	1610	1487	3.01
3	A₁	1466	1354	5.84
4	B₁	933	862	35.68
5	B₂	3246	2998	8.07
6	B₂	1056	975	2.00

Atom	y (Å)	z (Å)
C1	0.000	-0.482
C2	0.000	0.832
H3	0.929	-1.050
H4	-0.929	-1.050

	C1	C2	H3	H4
C1		1.3136	1.0889	1.0889
C2	1.3136		2.0984	2.0984
H3	1.0889	2.0984		1.8582
H4	1.0889	2.0984	1.8582

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.530		C2	C1	H4	120.530
H3	C1	H4	118.939

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CID/6-31G*

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)