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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	³B₁
2	1	yes	C2V	¹A₁

	hartrees
Energy at 0K	-39.055851
Energy at 298.15K	-39.055671
HF Energy	-38.927071
Nuclear repulsion energy	6.098982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3058	1.78
2	A₁	1160	1108	7.57
3	B₂	3439	3284	0.06

Atom	y (Å)	z (Å)
C1	0.000	0.111
H2	0.994	-0.334
H3	-0.994	-0.334

	C1	H2	H3
C1		1.0887	1.0887
H2	1.0887		1.9872
H3	1.0887	1.9872

All results from a given calculation for CH₂ (Methylene)

using model chemistry: MP2=FULL/cc-pCVDZ

States and conformations

State 1 (³B₁)

State 2 (¹A₁)

	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	-39.027828
Energy at 298.15K	-39.027666
HF Energy	-38.881127
Nuclear repulsion energy	5.974439

	C1	H2	H3
C1		1.1203	1.1203
H2	1.1203		1.7273
H3	1.1203	1.7273

All results from a given calculation for CH2 (Methylene)

using model chemistry: MP2=FULL/cc-pCVDZ

States and conformations

State 1 (3B1)

State 2 (1A1)

All results from a given calculation for CH₂ (Methylene)

State 1 (³B₁)

State 2 (¹A₁)