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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	-39.046594
Energy at 298.15K	-39.046408
HF Energy	-38.927962
Nuclear repulsion energy	6.074924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3196	3122
2	A₁	1168	1141
3	B₂	3415	3336

Atom	y (Å)	z (Å)
C1	0.000	0.109
H2	1.002	-0.327
H3	-1.002	-0.327

	C1	H2	H3
C1		1.0928	1.0928
H2	1.0928		2.0037
H3	1.0928	2.0037

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP4/aug-cc-pVDZ

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	-39.035919
Energy at 298.15K
HF Energy	-38.916054
Nuclear repulsion energy	6.119351

	hartrees
Energy at 0K	-39.027539
Energy at 298.15K	-39.027375
HF Energy	-38.883775
Nuclear repulsion energy	5.940271

	C1	H2	H3
C1		1.0804	1.0804
H2	1.0804		2.1608
H3	1.0804	2.1608

	C1	H2	H3
C1		1.1268	1.1268
H2	1.1268		1.7359
H3	1.1268	1.7359

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP4/aug-cc-pVDZ

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)