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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	-39.095173
Energy at 298.15K	-39.094985
HF Energy	-38.938194
Nuclear repulsion energy	6.187892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3199	3101
2	A₁	1104	1070
3	B₂	3381	3277

Atom	y (Å)	z (Å)
C1	0.000	0.106
H2	0.986	-0.317
H3	-0.986	-0.317

	C1	H2	H3
C1		1.0727	1.0727
H2	1.0727		1.9720
H3	1.0727	1.9720

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP4=FULL/aug-cc-pVTZ

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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-39.085866
Energy at 298.15K
HF Energy	-38.926279
Nuclear repulsion energy	6.226365

	hartrees
Energy at 0K	-39.076888
Energy at 298.15K	-39.076724
HF Energy	-38.893411
Nuclear repulsion energy	6.057905

	C1	H2	H3
C1		1.0618	1.0618
H2	1.0618		2.1237
H3	1.0618	2.1237

	C1	H2	H3
C1		1.1045	1.1045
H2	1.1045		1.7144
H3	1.1045	1.7144

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP4=FULL/aug-cc-pVTZ

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)