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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	-39.019306
Energy at 298.15K	-39.019129
HF Energy	-38.925477
Nuclear repulsion energy	6.182436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3062	0.99
2	A₁	1210	1133	4.20
3	B₂	3494	3272	0.73

Atom	y (Å)	z (Å)
C1	0.000	0.111
H2	0.979	-0.332
H3	-0.979	-0.332

	C1	H2	H3
C1		1.0741	1.0741
H2	1.0741		1.9571
H3	1.0741	1.9571

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP2/6-31G**

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	-39.006213
Energy at 298.15K
HF Energy	-38.912578
Nuclear repulsion energy	6.227243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3344	3131	0.00
2	Σ_u	3680	3446	54.72
3	Π_u	1180i	1105i	117.18
3	Π_u	1180i	1105i	117.18

	hartrees
Energy at 0K	-38.987199
Energy at 298.15K	-38.987038
HF Energy	-38.876200
Nuclear repulsion energy	6.050868

	C1	H2	H3
C1		1.0622	1.0622
H2	1.0622		2.1244
H3	1.0622	2.1244

	C1	H2	H3
C1		1.1060	1.1060
H2	1.1060		1.7109
H3	1.1060	1.7109

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP2/6-31G**

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)