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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	-39.051148
Energy at 298.15K	-39.050966
HF Energy	-38.934017
Nuclear repulsion energy	6.158819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	3043	0.54
2	A₁	1157	1097	6.99
3	B₂	3440	3263	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.109
H2	0.986	-0.327
H3	-0.986	-0.327

	C1	H2	H3
C1		1.0780	1.0780
H2	1.0780		1.9719
H3	1.0780	1.9719

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP2=FULL/6-311G**

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	-39.039917
Energy at 298.15K
HF Energy	-38.922010
Nuclear repulsion energy	6.209372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3288	3119	0.00
2	Σ_u	3641	3454	66.06
3	Π_u	1101i	1044i	117.38
4	Π_u	1101i	1044i	117.38

	hartrees
Energy at 0K	-39.022381
Energy at 298.15K	-39.022218
HF Energy	-38.887307
Nuclear repulsion energy	6.029888

	C1	H2	H3
C1		1.0653	1.0653
H2	1.0653		2.1306
H3	1.0653	2.1306

	C1	H2	H3
C1		1.1098	1.1098
H2	1.1098		1.7168
H3	1.1098	1.7168

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP2=FULL/6-311G**

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)