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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	³B₁
1	2	no	D*H	³Σ_g
2	1	yes	C2V	¹A₁

	hartrees
Energy at 0K	-39.150020
Energy at 298.15K	-39.149831
HF Energy	-39.150020
Nuclear repulsion energy	6.134823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3031	1.68
2	A₁	1108	1064	7.86
3	B₂	3383	3249	1.51

Atom	y (Å)	z (Å)
C1	0.000	0.108
H2	0.993	-0.323
H3	-0.993	-0.323

	C1	H2	H3
C1		1.0821	1.0821
H2	1.0821		1.9858
H3	1.0821	1.9858

All results from a given calculation for CH₂ (Methylene)

using model chemistry: B3LYP/6-31G*

States and conformations

State 1 (³B₁) , Conformer 1 (C2V)

State 1 (³Σ_g) , Conformer 2 (D*H)

State 2 (¹A₁) , Conformer 1 (C2V)

State 2 () , Conformer 2 ()

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	0.000	0.000	-0.647	0.647
CHELPG	0.000	0.000	-0.620	0.620
AIM	0.000	-0.082	0.000	0.082
ESP	0.001	-0.704	0.000	0.704

	hartrees
Energy at 0K	-39.140671
Energy at 298.15K
HF Energy	-39.140671
Nuclear repulsion energy	6.186675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3247	3118	0.00
2	Σ_u	3578	3436	39.83
3	Π_u	989i	950i	123.27
3	Π_u	989i	950i	123.27

	hartrees
Energy at 0K	-39.128249
Energy at 298.15K	-39.128087
HF Energy	-39.128249
Nuclear repulsion energy	5.980510

<r²>	6.616
(<r²>)^1/2	2.572

	C1	H2	H3
C1		1.0692	1.0692
H2	1.0692		2.1384
H3	1.0692	2.1384

<r²>	6.577
(<r²>)^1/2	2.565

	C1	H2	H3
C1		1.1194	1.1194
H2	1.1194		1.7187
H3	1.1194	1.7187

All results from a given calculation for CH2 (Methylene)

using model chemistry: B3LYP/6-31G*

States and conformations

State 1 (3B1) , Conformer 1 (C2V)

State 1 (3Σg) , Conformer 2 (D*H)

State 2 (1A1) , Conformer 1 (C2V)

State 2 () , Conformer 2 ()

All results from a given calculation for CH₂ (Methylene)

State 1 (³B₁) , Conformer 1 (C2V)

State 1 (³Σ_g) , Conformer 2 (D*H)

State 2 (¹A₁) , Conformer 1 (C2V)