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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	-39.019271
Energy at 298.15K	-39.019090
HF Energy	-38.921584
Nuclear repulsion energy	6.090456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3199	3199
2	A₁	1169	1169
3	B₂	3435	3435

Atom	y (Å)	z (Å)
C1	0.000	0.112
H2	0.994	-0.336
H3	-0.994	-0.336

	C1	H2	H3
C1		1.0903	1.0903
H2	1.0903		1.9878
H3	1.0903	1.9878

All results from a given calculation for CH₂ (Methylene)

using model chemistry: ROMP2/cc-pVDZ

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	-39.007215
Energy at 298.15K
HF Energy	-38.902884
Nuclear repulsion energy	6.140163

Number	Element	Mulliken
1	C	-0.172
2	H	0.086
3	H	0.086

<r²>	6.750
(<r²>)^1/2	2.598

	C1	H2	H3
C1		1.0767	1.0767
H2	1.0767		2.1535
H3	1.0767	2.1535

Number	Element	Mulliken
1	C	-0.252
2	H	0.126
3	H	0.126

All results from a given calculation for CH2 (Methylene)

using model chemistry: ROMP2/cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

All results from a given calculation for CH₂ (Methylene)