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	hartrees
Energy at 0K	-64.667031
Energy at 298.15K	-64.668230
HF Energy	-64.667031
Nuclear repulsion energy	23.865806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3029	11.45
2	A₁	2856	2718	24.51
3	A₁	1523	1449	61.78
4	A₁	1277	1216	6.55
5	B₁	739	704	114.23
6	B₁	639	608	2.86
7	B₂	3256	3099	2.39
8	B₂	918	873	53.61
9	B₂	419	399	5.08

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.789
H3	0.918	1.176
H4	-0.918	1.176
H5	0.000	-1.965

	C1	B2	H3	H4	H5
C1		1.3829	1.0869	1.0869	2.5584
B2	1.3829		2.1689	2.1689	1.1755
H3	1.0869	2.1689		1.8357	3.2720
H4	1.0869	2.1689	1.8357		3.2720
H5	2.5584	1.1755	3.2720	3.2720

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.388
B2	C1	H4	122.388		H4	C1	H3	115.224

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: mPW1PW91/6-31+G**

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	-0.611
2	B	0.196
3	H	0.182
4	H	0.182
5	H	0.051

	x	y	z	Total
	0.000	0.000	-0.620	0.620
CHELPG
AIM
ESP

<r²>	21.769
(<r²>)^1/2	4.666

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)