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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	-39.090397
Energy at 298.15K	-39.090211
HF Energy	-38.937802
Nuclear repulsion energy	6.193125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3193	3074
2	A₁	1118	1076
3	B₂	3400	3274

Atom	y (Å)	z (Å)
C1	0.000	0.105
H2	0.986	-0.316
H3	-0.986	-0.316

	C1	H2	H3
C1		1.0718	1.0718
H2	1.0718		1.9711
H3	1.0718	1.9711

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP4=FULL/cc-pVTZ

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	-39.080787
Energy at 298.15K
HF Energy	-38.925883
Nuclear repulsion energy	6.227544

	hartrees
Energy at 0K	-39.070759
Energy at 298.15K	-39.070596
HF Energy	-38.892397
Nuclear repulsion energy	6.057595

	C1	H2	H3
C1		1.0616	1.0616
H2	1.0616		2.1233
H3	1.0616	2.1233

	C1	H2	H3
C1		1.1046	1.1046
H2	1.1046		1.7139
H3	1.1046	1.7139

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP4=FULL/cc-pVTZ

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)