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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	-39.036312
Energy at 298.15K	-39.036130
HF Energy	-38.926635
Nuclear repulsion energy	6.076420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3014	1.49
2	A₁	1152	1092	7.22
3	B₂	3411	3234	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.111
H2	0.998	-0.334
H3	-0.998	-0.334

	C1	H2	H3
C1		1.0927	1.0927
H2	1.0927		1.9956
H3	1.0927	1.9956

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP3/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	-39.024506
Energy at 298.15K
HF Energy	-38.914230
Nuclear repulsion energy	6.128248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3258	3088	0.00
2	Σ_u	3607	3419	66.27
3	Π_u	1108i	1050i	97.64
3	Π_u	1108i	1050i	97.64

	hartrees
Energy at 0K	-39.012442
Energy at 298.15K	-39.012279
HF Energy	-38.880602
Nuclear repulsion energy	5.945549

	C1	H2	H3
C1		1.0794	1.0794
H2	1.0794		2.1588
H3	1.0794	2.1588

	C1	H2	H3
C1		1.1260	1.1260
H2	1.1260		1.7301
H3	1.1260	1.7301

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP3/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)