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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	-39.025135
Energy at 298.15K	-39.024953
HF Energy	-38.921307
Nuclear repulsion energy	6.139342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3197	3074
2	A₁	1167	1122
3	B₂	3416	3285

Atom	y (Å)	z (Å)
C1	0.000	0.110
H2	0.988	-0.330
H3	-0.988	-0.330

	C1	H2	H3
C1		1.0815	1.0815
H2	1.0815		1.9756
H3	1.0815	1.9756

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP4=FULL/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	-39.013299
Energy at 298.15K
HF Energy	-38.908007
Nuclear repulsion energy	6.181872

	hartrees
Energy at 0K	-38.997756
Energy at 298.15K	-38.997594
HF Energy	-38.871843
Nuclear repulsion energy	5.989854

	C1	H2	H3
C1		1.0695	1.0695
H2	1.0695		2.1389
H3	1.0695	2.1389

	C1	H2	H3
C1		1.1173	1.1173
H2	1.1173		1.7271
H3	1.1173	1.7271

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP4=FULL/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)