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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	-39.026756
Energy at 298.15K	-39.026572
HF Energy	-38.921245
Nuclear repulsion energy	6.130543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3174	3081
2	A₁	1147	1113
3	B₂	3388	3289

Atom	y (Å)	z (Å)
C1	0.000	0.110
H2	0.990	-0.329
H3	-0.990	-0.329

	C1	H2	H3
C1		1.0830	1.0830
H2	1.0830		1.9803
H3	1.0830	1.9803

All results from a given calculation for CH₂ (Methylene)

using model chemistry: CCSD(T)=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	-39.015667
Energy at 298.15K
HF Energy	-38.907926
Nuclear repulsion energy	6.165797

	hartrees
Energy at 0K	-38.435482
Energy at 298.15K	-38.435326
HF Energy	-38.370484
Nuclear repulsion energy	5.788123

	C1	H2	H3
C1		1.0723	1.0723
H2	1.0723		2.1445
H3	1.0723	2.1445

	C1	H2	H3
C1		1.1577	1.1577
H2	1.1577		1.7444
H3	1.1577	1.7444

All results from a given calculation for CH2 (Methylene)

using model chemistry: CCSD(T)=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)