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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	³B₁
1	2	no	D*H	³Σ_g
2	1	yes	C2V	¹A₁

	hartrees
Energy at 0K	-39.034578
Energy at 298.15K	-39.034392
HF Energy	-38.929590
Nuclear repulsion energy	6.137231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	2916	0.29
2	A₁	1122	1038	9.42
3	B₂	3373	3121	0.46

Atom	y (Å)	z (Å)
C1	0.000	0.108
H2	0.991	-0.325
H3	-0.991	-0.325

	C1	H2	H3
C1		1.0817	1.0817
H2	1.0817		1.9828
H3	1.0817	1.9828

All results from a given calculation for CH₂ (Methylene)

using model chemistry: CISD/6-311G*

States and conformations

State 1 (³B₁) , Conformer 1 (C2V)

State 1 (³Σ_g) , Conformer 2 (D*H)

State 2 (¹A₁) , Conformer 1 (C2V)

State 2 () , Conformer 2 ()

	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	-39.024408
Energy at 298.15K
HF Energy	-38.917063
Nuclear repulsion energy	6.177631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3209	2969	0.00
2	Σ_u	3543	3278	46.73
3	Π_u	1045i	967i	134.83
3	Π_u	1045i	967i	134.83

	hartrees
Energy at 0K	-39.009532
Energy at 298.15K	-39.009371
HF Energy	-38.883485
Nuclear repulsion energy	6.011517

	C1	H2	H3
C1		1.0708	1.0708
H2	1.0708		2.1415
H3	1.0708	2.1415

	C1	H2	H3
C1		1.1130	1.1130
H2	1.1130		1.7279
H3	1.1130	1.7279

All results from a given calculation for CH2 (Methylene)

using model chemistry: CISD/6-311G*

States and conformations

State 1 (3B1) , Conformer 1 (C2V)

State 1 (3Σg) , Conformer 2 (D*H)

State 2 (1A1) , Conformer 1 (C2V)

State 2 () , Conformer 2 ()

All results from a given calculation for CH₂ (Methylene)

State 1 (³B₁) , Conformer 1 (C2V)

State 1 (³Σ_g) , Conformer 2 (D*H)

State 2 (¹A₁) , Conformer 1 (C2V)