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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	-39.040557
Energy at 298.15K	-39.040375
HF Energy	-38.926930
Nuclear repulsion energy	6.073532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3160	1.36
2	A₁	1144	1144	7.21
3	B₂	3390	3390	0.04

Atom	y (Å)	z (Å)
C1	0.000	0.111
H2	0.999	-0.334
H3	-0.999	-0.334

	C1	H2	H3
C1		1.0932	1.0932
H2	1.0932		1.9973
H3	1.0932	1.9973

All results from a given calculation for CH₂ (Methylene)

using model chemistry: CCD/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	-39.020297
Energy at 298.15K	-39.020134
HF Energy	-38.880895
Nuclear repulsion energy	5.943267

	C1	H2	H3
C1		1.1263	1.1263
H2	1.1263		1.7339
H3	1.1263	1.7339

All results from a given calculation for CH2 (Methylene)

using model chemistry: CCD/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)