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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	-38.921823
Energy at 298.15K	-38.921654
HF Energy	-38.921823
Nuclear repulsion energy	6.142848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	2818	0.54
2	A₁	1296	1116	5.18
3	B₂	3490	3004	2.26

Atom	y (Å)	z (Å)
C1	0.000	0.116
H2	0.977	-0.349
H3	-0.977	-0.349

	C1	H2	H3
C1		1.0814	1.0814
H2	1.0814		1.9530
H3	1.0814	1.9530

All results from a given calculation for CH₂ (Methylene)

using model chemistry: ROHF/cc-pVDZ

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	-38.903118
Energy at 298.15K
HF Energy	-38.903118
Nuclear repulsion energy	6.211740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3383	2912	0.00
2	Σ_u	3747	3225	80.40
3	Π_u	1431i	1232i	90.43
3	Π_u	1431i	1232i	90.43

Number	Element	Mulliken
1	C	-0.163
2	H	0.081
3	H	0.081

	x	y	z	Total
	0.000	0.000	-0.564	0.564
CHELPG
AIM
ESP

<r²>	6.701
(<r²>)^1/2	2.589

	C1	H2	H3
C1		1.0649	1.0649
H2	1.0649		2.1297
H3	1.0649	2.1297

All results from a given calculation for CH2 (Methylene)

using model chemistry: ROHF/cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

All results from a given calculation for CH₂ (Methylene)