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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	³B₁
1	2	no	D*H	³Σ_g

	hartrees
Energy at 0K	-38.932575
Energy at 298.15K	-38.932406
HF Energy	-38.932575
Nuclear repulsion energy	6.207287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	2937	0.00
2	A₁	1300	1171	4.50
3	B₂	3468	3125	3.15

Atom	y (Å)	z (Å)
C1	0.000	0.114
H2	0.968	-0.343
H3	-0.968	-0.343

	C1	H2	H3
C1		1.0702	1.0702
H2	1.0702		1.9354
H3	1.0702	1.9354

All results from a given calculation for CH₂ (Methylene)

using model chemistry: ROHF/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

	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	-38.914726
Energy at 298.15K
HF Energy	-38.914726
Nuclear repulsion energy	6.273488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3372	3038	0.00
2	Σ_u	3725	3356	70.95
3	Π_u	1411i	1271i	114.03
3	Π_u	1411i	1271i	114.03

Number	Element	Mulliken
1	C	-0.295
2	H	0.148
3	H	0.148

	x	y	z	Total
	0.000	0.000	-0.594	0.594
CHELPG
AIM
ESP

<r²>	6.697
(<r²>)^1/2	2.588

	C1	H2	H3
C1		1.0544	1.0544
H2	1.0544		2.1088
H3	1.0544	2.1088

All results from a given calculation for CH2 (Methylene)

using model chemistry: ROHF/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

All results from a given calculation for CH₂ (Methylene)