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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	-39.007435
Energy at 298.15K	-39.007256
HF Energy	-38.921424
Nuclear repulsion energy	6.164066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3062	1.44
2	A₁	1192	1123	5.91
3	B₂	3472	3271	0.44

Atom	y (Å)	z (Å)
C1	0.000	0.110
H2	0.983	-0.331
H3	-0.983	-0.331

	C1	H2	H3
C1		1.0772	1.0772
H2	1.0772		1.9652
H3	1.0772	1.9652

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP2=FULL/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	-38.994946
Energy at 298.15K
HF Energy	-38.908088
Nuclear repulsion energy	6.208022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3316	3124	0.00
2	Σ_u	3653	3441	55.66
3	Π_u	1153i	1086i	129.54
3	Π_u	1153i	1086i	129.54

	hartrees
Energy at 0K	-38.974008
Energy at 298.15K	-38.973847
HF Energy	-38.872191
Nuclear repulsion energy	6.033861

	C1	H2	H3
C1		1.0655	1.0655
H2	1.0655		2.1310
H3	1.0655	2.1310

	C1	H2	H3
C1		1.1088	1.1088
H2	1.1088		1.7233
H3	1.1088	1.7233

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP2=FULL/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)