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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	-39.023698
Energy at 298.15K	-39.023521
HF Energy	-38.925483
Nuclear repulsion energy	6.187850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3059	1.03
2	A₁	1211	1131	4.27
3	B₂	3497	3268	0.65

Atom	y (Å)	z (Å)
C1	0.000	0.111
H2	0.978	-0.332
H3	-0.978	-0.332

	C1	H2	H3
C1		1.0732	1.0732
H2	1.0732		1.9554
H3	1.0732	1.9554

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP2=FULL/6-31G**

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	-39.010640
Energy at 298.15K
HF Energy	-38.912578
Nuclear repulsion energy	6.231431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3347	3128	0.00
2	Σ_u	3679	3437	54.89
3	Π_u	1178i	1101i	117.18
3	Π_u	1178i	1101i	117.18

	hartrees
Energy at 0K	-38.991442
Energy at 298.15K	-38.991281
HF Energy	-38.876221
Nuclear repulsion energy	6.057251

	C1	H2	H3
C1		1.0615	1.0615
H2	1.0615		2.1230
H3	1.0615	2.1230

	C1	H2	H3
C1		1.1048	1.1048
H2	1.1048		1.7099
H3	1.1048	1.7099

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP2=FULL/6-31G**

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)