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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	-38.978089
Energy at 298.15K	-38.977904
HF Energy	-38.911260
Nuclear repulsion energy	6.103705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	2942	0.02
2	A₁	1136	1065	4.00
3	B₂	3347	3139	6.29

Atom	y (Å)	z (Å)
C1	0.000	0.110
H2	0.995	-0.330
H3	-0.995	-0.330

	C1	H2	H3
C1		1.0878	1.0878
H2	1.0878		1.9895
H3	1.0878	1.9895

All results from a given calculation for CH₂ (Methylene)

using model chemistry: CISD/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	-38.967134
Energy at 298.15K
HF Energy	-38.900317
Nuclear repulsion energy	6.134866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3180	2982	0.00
2	Σ_u	3500	3282	16.72
3	Π_u	1072i	1005i	119.23
3	Π_u	1072i	1005i	119.23

	hartrees
Energy at 0K	-38.937766
Energy at 298.15K	-38.937603
HF Energy	-38.852556
Nuclear repulsion energy	5.932209

	C1	H2	H3
C1		1.0782	1.0782
H2	1.0782		2.1564
H3	1.0782	2.1564

	C1	H2	H3
C1		1.1272	1.1272
H2	1.1272		1.7705
H3	1.1272	1.7705

All results from a given calculation for CH2 (Methylene)

using model chemistry: CISD/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)