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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	-38.967975
Energy at 298.15K	-38.967790
HF Energy	-38.917648
Nuclear repulsion energy	6.094500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3042	1.03
2	A₁	1134	1092	5.99
3	B₂	3393	3267	4.72

Atom	y (Å)	z (Å)
C1	0.000	0.109
H2	0.998	-0.327
H3	-0.998	-0.327

	C1	H2	H3
C1		1.0893	1.0893
H2	1.0893		1.9966
H3	1.0893	1.9966

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP2/LANL2DZ

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	-38.957223
Energy at 298.15K
HF Energy	-38.907561
Nuclear repulsion energy	6.143516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3207	3088	0.00
2	Σ_u	3578	3445	27.49
3	Π_u	1080i	1040i	177.21
3	Π_u	1080i	1040i	177.21

	hartrees
Energy at 0K	-38.924955
Energy at 298.15K	-38.924790
HF Energy	-38.861390
Nuclear repulsion energy	5.933440

	C1	H2	H3
C1		1.0767	1.0767
H2	1.0767		2.1534
H3	1.0767	2.1534

	C1	H2	H3
C1		1.1263	1.1263
H2	1.1263		1.7907
H3	1.1263	1.7907

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP2/LANL2DZ

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)