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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	-38.911556
Energy at 298.15K	-38.911370
HF Energy	-38.911556
Nuclear repulsion energy	6.150467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3035	1.60
2	A₁	1124	1077	10.69
3	B₂	3388	3248	0.89

Atom	y (Å)	z (Å)
C1	0.000	0.109
H2	0.988	-0.327
H3	-0.988	-0.327

	C1	H2	H3
C1		1.0795	1.0795
H2	1.0795		1.9753
H3	1.0795	1.9753

All results from a given calculation for CH₂ (Methylene)

using model chemistry: M06-2X/3-21G

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	-38.901239
Energy at 298.15K
HF Energy	-38.901239
Nuclear repulsion energy	6.194704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3290	3154	0.00
2	Σ_u	3632	3482	32.26
3	Π_u	1081i	1036i	127.81
3	Π_u	1081i	1036i	127.81

	hartrees
Energy at 0K	-38.878749
Energy at 298.15K	-38.878589
HF Energy	-38.878749
Nuclear repulsion energy	5.963238

Number	Element	Mulliken
1	C	-0.393
2	H	0.196
3	H	0.196

	x	y	z	Total
	0.000	0.000	-0.669	0.669
CHELPG
AIM
ESP

<r²>	6.649
(<r²>)^1/2	2.578

	C1	H2	H3
C1		1.0678	1.0678
H2	1.0678		2.1356
H3	1.0678	2.1356

All results from a given calculation for CH2 (Methylene)

using model chemistry: M06-2X/3-21G

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)