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	hartrees
Energy at 0K	-64.685701
Energy at 298.15K	-64.686899
HF Energy	-64.685701
Nuclear repulsion energy	23.988239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3027	14.28
2	A₁	2837	2718	18.62
3	A₁	1517	1454	59.33
4	A₁	1274	1220	8.02
5	B₁	735	704	81.21
6	B₁	655	628	1.86
7	B₂	3226	3091	2.60
8	B₂	912	874	37.63
9	B₂	404	387	1.27

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.784
H3	0.914	1.172
H4	-0.914	1.172
H5	0.000	-1.957

	C1	B2	H3	H4	H5
C1		1.3731	1.0841	1.0841	2.5457
B2	1.3731		2.1588	2.1588	1.1725
H3	1.0841	2.1588		1.8286	3.2591
H4	1.0841	2.1588	1.8286		3.2591
H5	2.5457	1.1725	3.2591	3.2591

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.503
B2	C1	H4	122.503		H4	C1	H3	114.995

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: mPW1PW91/aug-cc-pVTZ

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	-0.644
2	B	-0.140
3	H	0.371
4	H	0.371
5	H	0.043

	x	y	z	Total
	0.000	0.000	-0.603	0.603
CHELPG
AIM
ESP

<r²>	21.598
(<r²>)^1/2	4.647

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)