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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	-38.937626
Energy at 298.15K	-38.937448
HF Energy	-38.937626
Nuclear repulsion energy	6.201443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	3275	0.05
2	A₁	1199	1199	4.02
3	B₂	3486	3486	0.40

Atom	y (Å)	z (Å)
C1	0.000	0.109
H2	0.978	-0.326
H3	-0.978	-0.326

	C1	H2	H3
C1		1.0707	1.0707
H2	1.0707		1.9564
H3	1.0707	1.9564

All results from a given calculation for CH₂ (Methylene)

using model chemistry: ROHF/TZVP

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	-38.914756
Energy at 298.15K
HF Energy	-38.914756
Nuclear repulsion energy	6.268145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3381	3381	0.00
2	Σ_u	3734	3734	74.72
3	Π_u	1405i	1405i	152.50
3	Π_u	1405i	1405i	152.50

Number	Element	Mulliken
1	C	-0.210
2	H	0.105
3	H	0.105

	x	y	z	Total
	0.000	0.000	-0.611	0.611
CHELPG
AIM
ESP

<r²>	6.718
(<r²>)^1/2	2.592

	C1	H2	H3
C1		1.0553	1.0553
H2	1.0553		2.1106
H3	1.0553	2.1106

All results from a given calculation for CH2 (Methylene)

using model chemistry: ROHF/TZVP

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

All results from a given calculation for CH₂ (Methylene)