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	hartrees
Energy at 0K	-64.663802
Energy at 298.15K	-64.664968
HF Energy	-64.663802
Nuclear repulsion energy	23.805095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3045	13.91
2	A₁	2843	2725	20.13
3	A₁	1518	1455	51.67
4	A₁	1246	1194	8.91
5	B₁	724	693	74.12
6	B₁	634	608	4.43
7	B₂	3258	3122	4.28
8	B₂	906	868	39.28
9	B₂	394	377	3.81

Atom	y (Å)	z (Å)
C1	0.000	0.594
B2	0.000	-0.789
H3	0.925	1.178
H4	-0.925	1.178
H5	0.000	-1.973

	C1	B2	H3	H4	H5
C1		1.3826	1.0936	1.0936	2.5662
B2	1.3826		2.1731	2.1731	1.1836
H3	1.0936	2.1731		1.8491	3.2831
H4	1.0936	2.1731	1.8491		3.2831
H5	2.5662	1.1836	3.2831	3.2831

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.280
B2	C1	H4	122.280		H4	C1	H3	115.440

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: mPW1PW91/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	-0.163
2	B	-0.041
3	H	0.072
4	H	0.072
5	H	0.059

	x	y	z	Total
	0.000	0.000	-0.465	0.465
CHELPG
AIM
ESP

<r²>	21.626
(<r²>)^1/2	4.650

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)