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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	-38.962715
Energy at 298.15K	-38.962539
HF Energy	-38.907040
Nuclear repulsion energy	6.135810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3201	3201
2	A₁	1220	1220
3	B₂	3424	3424

Atom	y (Å)	z (Å)
C1	0.000	0.112
H2	0.984	-0.337
H3	-0.984	-0.337

	C1	H2	H3
C1		1.0824	1.0824
H2	1.0824		1.9688
H3	1.0824	1.9688

All results from a given calculation for CH₂ (Methylene)

using model chemistry: ROMP2/6-31G

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	-38.948512
Energy at 298.15K
HF Energy	-38.889454
Nuclear repulsion energy	6.179857

Number	Element	Mulliken
1	C	-0.307
2	H	0.154
3	H	0.154

<r²>	6.694
(<r²>)^1/2	2.587

	C1	H2	H3
C1		1.0698	1.0698
H2	1.0698		2.1396
H3	1.0698	2.1396

Number	Element	Mulliken
1	C	-0.479
2	H	0.240
3	H	0.240

All results from a given calculation for CH2 (Methylene)

using model chemistry: ROMP2/6-31G

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

All results from a given calculation for CH₂ (Methylene)