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	hartrees
Energy at 0K	-64.668260
Energy at 298.15K	-64.669453
HF Energy	-64.668260
Nuclear repulsion energy	23.836508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3038	12.90
2	A₁	2839	2720	18.75
3	A₁	1514	1451	58.07
4	A₁	1261	1208	8.71
5	B₁	733	703	83.79
6	B₁	642	616	1.93
7	B₂	3248	3113	1.87
8	B₂	906	868	34.72
9	B₂	407	390	1.03

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.789
H3	0.922	1.177
H4	-0.922	1.177
H5	0.000	-1.969

	C1	B2	H3	H4	H5
C1		1.3817	1.0913	1.0913	2.5621
B2	1.3817		2.1710	2.1710	1.1804
H3	1.0913	2.1710		1.8441	3.2782
H4	1.0913	2.1710	1.8441		3.2782
H5	2.5621	1.1804	3.2782	3.2782

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.339
B2	C1	H4	122.339		H4	C1	H3	115.321

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.504
2	B	-0.358
3	H	-0.286
4	H	-0.286
5	H	0.426

	x	y	z	Total
	0.000	0.000	-0.621	0.621
CHELPG
AIM
ESP

<r²>	21.802
(<r²>)^1/2	4.669

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)