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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	-38.964206
Energy at 298.15K	-38.964026
HF Energy	-38.911477
Nuclear repulsion energy	6.134082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3201	3063	0.10
2	A₁	1184	1133	3.83
3	B₂	3423	3275	4.73

Atom	y (Å)	z (Å)
C1	0.000	0.111
H2	0.988	-0.332
H3	-0.988	-0.332

	C1	H2	H3
C1		1.0825	1.0825
H2	1.0825		1.9758
H3	1.0825	1.9758

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP2/6-31G

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	-38.951794
Energy at 298.15K
HF Energy	-38.900545
Nuclear repulsion energy	6.170256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3254	3114	0.00
2	Σ_u	3594	3439	26.09
3	Π_u	1149i	1099i	123.40
3	Π_u	1149i	1099i	123.40

	hartrees
Energy at 0K	-38.918566
Energy at 298.15K	-38.918403
HF Energy	-38.852952
Nuclear repulsion energy	5.969341

	C1	H2	H3
C1		1.0720	1.0720
H2	1.0720		2.1441
H3	1.0720	2.1441

	C1	H2	H3
C1		1.1199	1.1199
H2	1.1199		1.7688
H3	1.1199	1.7688

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP2/6-31G

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)