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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	-12.107109
Energy at 298.15K	-12.106959
HF Energy	-11.967809
Nuclear repulsion energy	12.237693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3030	22.87
2	A₁	1588	1534	90.22
3	A₁	1274	1231	10.37
4	B₁	797	770	158.54
5	B₂	3243	3134	0.50
6	B₂	497	480	5.06

Atom	y (Å)	z (Å)
C1	0.000	-0.509
C2	0.000	0.865
H3	0.951	-1.069
H4	-0.951	-1.069

	C1	C2	H3	H4
C1		1.3741	1.1041	1.1041
C2	1.3741		2.1559	2.1559
H3	1.1041	2.1559		1.9025
H4	1.1041	2.1559	1.9025

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: MP2/CEP-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	-12.045287
Energy at 298.15K	-12.045380
HF Energy	-11.949714
Nuclear repulsion energy	12.186954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3126	3020	10.43
2	A₁	1514	1463	0.01
3	A₁	1389	1342	8.34
4	B₁	862	833	66.55
5	B₂	3236	3127	21.04
6	B₂	1035	1000	5.49

Atom	y (Å)	z (Å)
C1	0.000	-0.512
C2	0.000	0.872
H3	0.946	-1.079
H4	-0.946	-1.079

	C1	C2	H3	H4
C1		1.3843	1.1029	1.1029
C2	1.3843		2.1684	2.1684
H3	1.1029	2.1684		1.8921
H4	1.1029	2.1684	1.8921

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	120.511		C2	C1	H4	120.511
H3	C1	H4	118.978

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: MP2/CEP-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)