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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	-38.911680
Energy at 298.15K	-38.911500
HF Energy	-38.911680
Nuclear repulsion energy	6.202350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3305	2959	0.13
2	A₁	1185	1061	3.37
3	B₂	3519	3151	4.63

Atom	y (Å)	z (Å)
C1	0.000	0.108
H2	0.979	-0.324
H3	-0.979	-0.324

	C1	H2	H3
C1		1.0705	1.0705
H2	1.0705		1.9585
H3	1.0705	1.9585

All results from a given calculation for CH₂ (Methylene)

using model chemistry: ROHF/6-31G

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	-38.889740
Energy at 298.15K
HF Energy	-38.889740
Nuclear repulsion energy	6.259673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3405	3049	0.00
2	Σ_u	3770	3375	37.49
3	Π_u	1396i	1250i	144.66
3	Π_u	1396i	1250i	144.66

Number	Element	Mulliken
1	C	-0.301
2	H	0.150
3	H	0.150

	x	y	z	Total
	0.000	0.000	-0.598	0.598
CHELPG
AIM
ESP

<r²>	6.634
(<r²>)^1/2	2.576

	C1	H2	H3
C1		1.0567	1.0567
H2	1.0567		2.1134
H3	1.0567	2.1134

All results from a given calculation for CH2 (Methylene)

using model chemistry: ROHF/6-31G

States and conformations

Conformer 1 (C2V)

Conformer 2 (D*H)

All results from a given calculation for CH₂ (Methylene)