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	hartrees
Energy at 0K	-65.487661
Energy at 298.15K	-65.491576
HF Energy	-65.487661
Nuclear repulsion energy	31.677107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3096	2972	8.95
2	A'	2991	2871	3.58
3	A'	2598	2494	89.91
4	A'	1532	1471	5.64
5	A'	1388	1332	77.17
6	A'	1257	1206	34.36
7	A'	1097	1053	84.20
8	A'	984	945	13.50
9	A'	630	605	0.69
10	A"	3147	3021	11.33
11	A"	2676	2569	131.64
12	A"	1501	1441	7.46
13	A"	1087	1043	26.97
14	A"	700	672	0.01
15	A"	114	110	3.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	-0.686	0.000
B2	-0.015	0.876	0.000
H3	1.052	-0.989	0.000
H4	-0.456	-1.134	0.898
H5	-0.456	-1.134	-0.898
H6	0.013	1.496	-1.030
H7	0.013	1.496	1.030

	C1	B2	H3	H4	H5	H6	H7
C1		1.5622	1.1091	1.0963	1.0963	2.4124	2.4124
B2	1.5622		2.1488	2.2459	2.2459	1.2018	1.2018
H3	1.1091	2.1488		1.7609	1.7609	2.8831	2.8831
H4	1.0963	2.2459	1.7609		1.7957	3.2943	2.6749
H5	1.0963	2.2459	1.7609	1.7957		2.6749	3.2943
H6	2.4124	1.2018	2.8831	3.2943	2.6749		2.0591
H7	2.4124	1.2018	2.8831	2.6749	3.2943	2.0591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.022	C1	B2	H7	121.022
B2	C1	H3	105.861	B2	C1	H4	114.156
B2	C1	H5	114.156	H3	C1	H4	105.967
H3	C1	H5	105.967	H4	C1	H5	109.968
H6	B2	H7	117.885

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HSEh1PBE/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	-0.911
2	B	0.217
3	H	0.232
4	H	0.223
5	H	0.223
6	H	0.008
7	H	0.008

	x	y	z	Total
	0.159	-0.732	0.000	0.749
CHELPG
AIM
ESP

	x	y	z
x	2.649	-0.037	0.000
y	-0.037	3.933	0.000
z	0.000	0.000	3.432

<r²>	29.417
(<r²>)^1/2	5.424

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)