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	hartrees
Energy at 0K	-63.766285
Energy at 298.15K	-63.767455
HF Energy	-63.766285
Nuclear repulsion energy	23.931144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3311	3025	61.07
2	A₁	3103	2835	8.98
3	A₁	1639	1497	47.85
4	A₁	1395	1274	3.87
5	B₁	800	731	36.57
6	B₁	673	615	9.94
7	B₂	3420	3124	15.37
8	B₂	959	876	80.70
9	B₂	478	436	2.58

Atom	y (Å)	z (Å)
C1	0.000	0.583
B2	0.000	-0.784
H3	0.922	1.187
H4	-0.922	1.187
H5	0.000	-1.953

	C1	B2	H3	H4	H5
C1		1.3667	1.1027	1.1027	2.5359
B2	1.3667		2.1762	2.1762	1.1692
H3	1.1027	2.1762		1.8449	3.2728
H4	1.1027	2.1762	1.8449		3.2728
H5	2.5359	1.1692	3.2728	3.2728

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	123.227
B2	C1	H4	123.227		H4	C1	H3	113.547

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBEPBE/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.342
2	B	0.169
3	H	0.093
4	H	0.093
5	H	-0.014

	x	y	z	Total
	0.000	0.000	-0.171	0.171
CHELPG
AIM
ESP

<r²>	20.624
(<r²>)^1/2	4.541

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)