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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	-38.761890
Energy at 298.15K	-38.761712
HF Energy	-38.708953
Nuclear repulsion energy	6.150513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	3033	0.51
2	A₁	1200	1141	3.02
3	B₂	3403	3238	3.65

Atom	y (Å)	z (Å)
C1	0.000	0.113
H2	0.981	-0.338
H3	-0.981	-0.338

	C1	H2	H3
C1		1.0798	1.0798
H2	1.0798		1.9629
H3	1.0798	1.9629

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP2/3-21G*

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	-38.748761
Energy at 298.15K
HF Energy	-38.697435
Nuclear repulsion energy	6.186351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3235	3078	0.00
2	Σ_u	3575	3401	29.28
3	Π_u	1153i	1097i	127.06
3	Π_u	1153i	1097i	127.06

	hartrees
Energy at 0K	-38.717108
Energy at 298.15K	-38.716947
HF Energy	-38.651549
Nuclear repulsion energy	5.979649

	C1	H2	H3
C1		1.0692	1.0692
H2	1.0692		2.1385
H3	1.0692	2.1385

	C1	H2	H3
C1		1.1183	1.1183
H2	1.1183		1.7551
H3	1.1183	1.7551

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP2/3-21G*

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)