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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	-39.053653
Energy at 298.15K	-39.053468
HF Energy	-38.927484
Nuclear repulsion energy	6.158494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3037	2.27
2	A₁	1139	1079	6.81
3	B₂	3436	3255	0.13

Atom	y (Å)	z (Å)
C1	0.000	0.108
H2	0.987	-0.325
H3	-0.987	-0.325

	C1	H2	H3
C1		1.0780	1.0780
H2	1.0780		1.9741
H3	1.0780	1.9741

All results from a given calculation for CH₂ (Methylene)

using model chemistry: CCD/6-31G(2df,p)

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	-39.042977
Energy at 298.15K
HF Energy	-38.914623
Nuclear repulsion energy	6.213347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3288	3114	0.00
2	Σ_u	3634	3442	66.70
3	Π_u	1071i	1015i	114.29
4	Π_u	1071i	1015i	114.29

	hartrees
Energy at 0K	-39.034438
Energy at 298.15K	-39.034276
HF Energy	-38.880680
Nuclear repulsion energy	6.022657

	C1	H2	H3
C1		1.0646	1.0646
H2	1.0646		2.1292
H3	1.0646	2.1292

	C1	H2	H3
C1		1.1114	1.1114
H2	1.1114		1.7134
H3	1.1114	1.7134

All results from a given calculation for CH2 (Methylene)

using model chemistry: CCD/6-31G(2df,p)

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)