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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	-39.057196
Energy at 298.15K	-39.057011
HF Energy	-38.937515
Nuclear repulsion energy	6.152542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3164	3045
2	A₁	1132	1090
3	B₂	3387	3260

Atom	y (Å)	z (Å)
C1	0.000	0.108
H2	0.989	-0.324
H3	-0.989	-0.324

	C1	H2	H3
C1		1.0791	1.0791
H2	1.0791		1.9777
H3	1.0791	1.9777

All results from a given calculation for CH₂ (Methylene)

using model chemistry: CCSD(T)/TZVP

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	-39.046698
Energy at 298.15K
HF Energy	-38.925795
Nuclear repulsion energy	6.191342

	hartrees
Energy at 0K	-39.036488
Energy at 298.15K	-39.036324
HF Energy	-38.890517
Nuclear repulsion energy	6.021630

	C1	H2	H3
C1		1.0678	1.0678
H2	1.0678		2.1357
H3	1.0678	2.1357

	C1	H2	H3
C1		1.1113	1.1113
H2	1.1113		1.7195
H3	1.1113	1.7195

All results from a given calculation for CH2 (Methylene)

using model chemistry: CCSD(T)/TZVP

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)