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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	-38.924757
Energy at 298.15K	-38.924589
HF Energy	-38.924757
Nuclear repulsion energy	6.196367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3278	2804	0.07
2	A₁	1318	1128	2.87
3	B₂	3483	2980	8.07

Atom	y (Å)	z (Å)
C1	0.000	0.116
H2	0.966	-0.348
H3	-0.966	-0.348

	C1	H2	H3
C1		1.0722	1.0722
H2	1.0722		1.9330
H3	1.0722	1.9330

All results from a given calculation for CH₂ (Methylene)

using model chemistry: ROHF/6-311G*

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	-38.905435
Energy at 298.15K
HF Energy	-38.905435
Nuclear repulsion energy	6.264545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3386	2897	0.00
2	Σ_u	3739	3199	59.43
3	Π_u	1461i	1250i	147.28
3	Π_u	1461i	1250i	147.28

Number	Element	Mulliken
1	C	-0.465
2	H	0.233
3	H	0.233

	x	y	z	Total
	0.000	0.000	-0.620	0.620
CHELPG
AIM
ESP

<r²>	6.696
(<r²>)^1/2	2.588

	C1	H2	H3
C1		1.0559	1.0559
H2	1.0559		2.1118
H3	1.0559	2.1118

All results from a given calculation for CH2 (Methylene)

using model chemistry: ROHF/6-311G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

All results from a given calculation for CH₂ (Methylene)