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	hartrees
Energy at 0K	-64.335379
Energy at 298.15K	-64.336713
HF Energy	-64.335379
Nuclear repulsion energy	23.771986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	3023	8.96
2	A₁	2867	2769	24.09
3	A₁	1519	1467	48.56
4	A₁	1335	1289	6.25
5	B₁	797	770	113.00
6	B₁	704	679	3.26
7	B₂	3186	3077	0.34
8	B₂	974	941	62.41
9	B₂	500	483	5.77

Atom	y (Å)	z (Å)
C1	0.000	0.594
B2	0.000	-0.794
H3	0.917	1.187
H4	-0.917	1.187
H5	0.000	-1.969

	C1	B2	H3	H4	H5
C1		1.3887	1.0918	1.0918	2.5638
B2	1.3887		2.1835	2.1835	1.1751
H3	1.0918	2.1835		1.8334	3.2873
H4	1.0918	2.1835	1.8334		3.2873
H5	2.5638	1.1751	3.2873	3.2873

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.902
B2	C1	H4	122.902		H4	C1	H3	114.196

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: TPSSh/3-21G*

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	-0.861
2	B	0.372
3	H	0.212
4	H	0.212
5	H	0.065

	x	y	z	Total
	0.000	0.000	-0.303	0.303
CHELPG
AIM
ESP

<r²>	21.738
(<r²>)^1/2	4.662

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: TPSSh/3-21G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)