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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	-6.587265
Energy at 298.15K	-6.587082
HF Energy	-6.535129
Nuclear repulsion energy	4.149188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	3008	0.68
2	A₁	1145	1117	3.93
3	B₂	3321	3241	5.51

Atom	y (Å)	z (Å)
C1	0.000	0.147
H2	0.996	-0.295
H3	-0.996	-0.295

	C1	H2	H3
C1		1.0901	1.0901
H2	1.0901		1.9928
H3	1.0901	1.9928

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP2/CEP-121G

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	-6.575462
Energy at 298.15K
HF Energy	-6.524389
Nuclear repulsion energy	4.173801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3139	3063	0.00
2	Σ_u	3501	3417	26.38
3	Π_u	1145i	1118i	164.95
3	Π_u	1145i	1118i	164.95

	hartrees
Energy at 0K	-6.546272
Energy at 298.15K	-6.546108
HF Energy	-6.480185
Nuclear repulsion energy	4.043776

	C1	H2	H3
C1		1.0777	1.0777
H2	1.0777		2.1554
H3	1.0777	2.1554

	C1	H2	H3
C1		1.1298	1.1298
H2	1.1298		1.7833
H3	1.1298	1.7833

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP2/CEP-121G

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)