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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	-77.145149
Energy at 298.15K	-77.144834
HF Energy	-76.793849
Nuclear repulsion energy	23.870170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3159	3026
2	A₁	1683	1612
3	A₁	1235	1183
4	B₁	771	738
5	B₂	3228	3092
6	B₂	326	312

Atom	y (Å)	z (Å)
C1	0.000	-0.480
C2	0.000	0.821
H3	0.936	-1.022
H4	-0.936	-1.022

	C1	C2	H3	H4
C1		1.3009	1.0816	1.0816
C2	1.3009		2.0667	2.0667
H3	1.0816	2.0667		1.8724
H4	1.0816	2.0667	1.8724

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: CCSD(T)=FULL/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	-77.072070
Energy at 298.15K	-77.072157
HF Energy	-76.760308
Nuclear repulsion energy	23.639505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3090	2961
2	A₁	1585	1518
3	A₁	1421	1361
4	B₁	827	792
5	B₂	3147	3015
6	B₂	1007	965

Atom	y (Å)	z (Å)
C1	0.000	-0.485
C2	0.000	0.832
H3	0.930	-1.042
H4	-0.930	-1.042

	C1	C2	H3	H4
C1		1.3172	1.0840	1.0840
C2	1.3172		2.0923	2.0923
H3	1.0840	2.0923		1.8598
H4	1.0840	2.0923	1.8598

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.048		C2	C1	H4	120.048
H3	C1	H4	119.904

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: CCSD(T)=FULL/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)