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

	hartrees
Energy at 0K	-39.055387
Energy at 298.15K	-39.055204
HF Energy	-38.932374
Nuclear repulsion energy	6.183061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3200	3200
2	A₁	1142	1142
3	B₂	3434	3434

Atom	y (Å)	z (Å)
C1	0.000	0.108
H2	0.983	-0.323
H3	-0.983	-0.323

	C1	H2	H3
C1		1.0738	1.0738
H2	1.0738		1.9669
H3	1.0738	1.9669

All results from a given calculation for CH₂ (Methylene)

using model chemistry: ROMP2/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

	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	-39.045385
Energy at 298.15K
HF Energy	-38.914620
Nuclear repulsion energy	6.224222

Number	Element	Mulliken
1	C	-0.300
2	H	0.150
3	H	0.150

<r²>	6.723
(<r²>)^1/2	2.593

	C1	H2	H3
C1		1.0622	1.0622
H2	1.0622		2.1244
H3	1.0622	2.1244

Number	Element	Mulliken
1	C	-0.415
2	H	0.207
3	H	0.207

All results from a given calculation for CH2 (Methylene)

using model chemistry: ROMP2/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

All results from a given calculation for CH₂ (Methylene)