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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	-39.040378
Energy at 298.15K	-39.040197
HF Energy	-38.927816
Nuclear repulsion energy	6.166769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3046	0.40
2	A₁	1167	1100	5.23
3	B₂	3456	3256	0.11

Atom	y (Å)	z (Å)
C1	0.000	0.108
H2	0.986	-0.325
H3	-0.986	-0.325

	C1	H2	H3
C1		1.0766	1.0766
H2	1.0766		1.9712
H3	1.0766	1.9712

All results from a given calculation for CH₂ (Methylene)

using model chemistry: CCD/6-31+G**

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	-39.028908
Energy at 298.15K
HF Energy	-38.915866
Nuclear repulsion energy	6.204952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3299	3109	0.00
2	Σ_u	3628	3418	54.43
3	Π_u	1122i	1057i	154.72
3	Π_u	1122i	1057i	154.72

	hartrees
Energy at 0K	-39.017450
Energy at 298.15K	-39.017287
HF Energy	-38.880464
Nuclear repulsion energy	6.042193

	C1	H2	H3
C1		1.0660	1.0660
H2	1.0660		2.1321
H3	1.0660	2.1321

	C1	H2	H3
C1		1.1073	1.1073
H2	1.1073		1.7228
H3	1.1073	1.7228

All results from a given calculation for CH2 (Methylene)

using model chemistry: CCD/6-31+G**

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)