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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	no	C2V	¹A₁

	hartrees
Energy at 0K	-39.117099
Energy at 298.15K	-39.116909
HF Energy	-38.940330
Nuclear repulsion energy	6.173837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3152	3152
2	A₁	1091	1091
3	B₂	3381	3381

Atom	y (Å)	z (Å)
C1	0.000	0.105
H2	0.989	-0.316
H3	-0.989	-0.316

	C1	H2	H3
C1		1.0751	1.0751
H2	1.0751		1.9783
H3	1.0751	1.9783

All results from a given calculation for CH₂ (Methylene)

using model chemistry: QCISD(TQ)=FULL/aug-cc-pVQZ

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	-39.108298
Energy at 298.15K
HF Energy	-38.928402
Nuclear repulsion energy	6.209616

	hartrees
Energy at 0K	-39.101612
Energy at 298.15K
Nuclear repulsion energy

	C1	H2	H3
C1		1.0647	1.0647
H2	1.0647		2.1294
H3	1.0647	2.1294

All results from a given calculation for CH2 (Methylene)

using model chemistry: QCISD(TQ)=FULL/aug-cc-pVQZ

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)