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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	-75.895657
Energy at 298.15K	-75.895436
HF Energy	-75.785881
Nuclear repulsion energy	23.224676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3449	3066	65.64
2	A₁	1696	1508	59.90
3	A₁	1374	1221	1.06
4	B₁	849	755	49.15
5	B₂	3594	3195	23.00
6	B₂	473	420	0.39

Atom	y (Å)	z (Å)
C1	0.000	-0.496
C2	0.000	0.849
H3	0.942	-1.058
H4	-0.942	-1.058

	C1	C2	H3	H4
C1		1.3444	1.0972	1.0972
C2	1.3444		2.1267	2.1267
H3	1.0972	2.1267		1.8844
H4	1.0972	2.1267	1.8844

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2=FULL/STO-3G

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	-75.845102
Energy at 298.15K	-75.845175
HF Energy	-75.784833
Nuclear repulsion energy	23.281674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3405	3027	5.04
2	A₁	1669	1483	0.02
3	A₁	1469	1306	2.46
4	B₁	900	800	14.18
5	B₂	3544	3150	0.39
6	B₂	1122	997	0.62

Atom	y (Å)	z (Å)
C1	0.000	-0.488
C2	0.000	0.847
H3	0.932	-1.076
H4	-0.932	-1.076

	C1	C2	H3	H4
C1		1.3355	1.1020	1.1020
C2	1.3355		2.1373	2.1373
H3	1.1020	2.1373		1.8643
H4	1.1020	2.1373	1.8643

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.824		C2	C1	H4	120.824
H3	C1	H4	118.351

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2=FULL/STO-3G

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)