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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	-39.018448
Energy at 298.15K	-39.018266
HF Energy	-38.921325
Nuclear repulsion energy	6.143957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	2966	0.99
2	A₁	1167	1078	6.27
3	B₂	3428	3166	1.27

Atom	y (Å)	z (Å)
C1	0.000	0.110
H2	0.987	-0.329
H3	-0.987	-0.329

	C1	H2	H3
C1		1.0807	1.0807
H2	1.0807		1.9748
H3	1.0807	1.9748

All results from a given calculation for CH₂ (Methylene)

using model chemistry: CID/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	-39.006740
Energy at 298.15K
HF Energy	-38.908031
Nuclear repulsion energy	6.187790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3278	3028	0.00
2	Σ_u	3609	3334	43.29
3	Π_u	1115i	1030i	127.35
3	Π_u	1115i	1030i	127.35

	hartrees
Energy at 0K	-38.990390
Energy at 298.15K	-38.990228
HF Energy	-38.872018
Nuclear repulsion energy	6.007469

	C1	H2	H3
C1		1.0690	1.0690
H2	1.0690		2.1380
H3	1.0690	2.1380

	C1	H2	H3
C1		1.1138	1.1138
H2	1.1138		1.7275
H3	1.1138	1.7275

All results from a given calculation for CH2 (Methylene)

using model chemistry: CID/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)