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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	-38.940351
Energy at 298.15K	-38.940174
HF Energy	-38.940351
Nuclear repulsion energy	6.209465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3265	0.02
2	A₁	1203	1203	5.51
3	B₂	3474	3474	0.46

Atom	y (Å)	z (Å)
C1	0.000	0.109
H2	0.976	-0.327
H3	-0.976	-0.327

	C1	H2	H3
C1		1.0693	1.0693
H2	1.0693		1.9525
H3	1.0693	1.9525

All results from a given calculation for CH₂ (Methylene)

using model chemistry: ROHF/cc-pVQZ

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	-38.917206
Energy at 298.15K
HF Energy	-38.917206
Nuclear repulsion energy	6.275711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3371	3371	0.00
2	Σ_u	3724	3724	72.46
3	Π_u	1411i	1411i	118.47
4	Π_u	1411i	1411i	118.47

Number	Element	Mulliken
1	C	-0.205
2	H	0.102
3	H	0.102

	x	y	z	Total
	0.000	0.000	-0.586	0.586
CHELPG
AIM
ESP

<r²>	6.701
(<r²>)^1/2	2.589

	C1	H2	H3
C1		1.0540	1.0540
H2	1.0540		2.1080
H3	1.0540	2.1080

All results from a given calculation for CH2 (Methylene)

using model chemistry: ROHF/cc-pVQZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

All results from a given calculation for CH₂ (Methylene)