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	hartrees
Energy at 0K	-65.891548
Energy at 298.15K	-65.895441
HF Energy	-65.891548
Nuclear repulsion energy	31.608471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3002	2979	15.41
2	A'	2901	2879	5.98
3	A'	2540	2520	103.12
4	A'	1457	1446	0.83
5	A'	1310	1300	58.39
6	A'	1234	1225	19.90
7	A'	1074	1066	65.00
8	A'	954	946	12.60
9	A'	551	546	0.72
10	A"	3051	3027	21.68
11	A"	2608	2588	147.79
12	A"	1412	1401	2.34
13	A"	1044	1036	18.04
14	A"	673	668	0.44
15	A"	154	153	2.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.686	0.000
B2	-0.019	0.878	0.000
H3	1.061	-0.958	0.000
H4	-0.441	-1.156	0.902
H5	-0.441	-1.156	-0.902
H6	0.014	1.497	-1.031
H7	0.014	1.497	1.031

	C1	B2	H3	H4	H5	H6	H7
C1		1.5634	1.1142	1.1013	1.1013	2.4145	2.4145
B2	1.5634		2.1303	2.2641	2.2641	1.2034	1.2034
H3	1.1142	2.1303		1.7635	1.7635	2.8617	2.8617
H4	1.1013	2.2641	1.7635		1.8045	3.3140	2.6947
H5	1.1013	2.2641	1.7635	1.8045		2.6947	3.3140
H6	2.4145	1.2034	2.8617	3.3140	2.6947		2.0621
H7	2.4145	1.2034	2.8617	2.6947	3.3140	2.0621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.991	C1	B2	H7	120.991
B2	C1	H3	104.160	B2	C1	H4	115.253
B2	C1	H5	115.253	H3	C1	H4	105.493
H3	C1	H5	105.493	H4	C1	H5	110.025
H6	B2	H7	117.919

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: BLYP/6-31G**

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	-0.369
2	B	0.162
3	H	0.112
4	H	0.102
5	H	0.102
6	H	-0.054
7	H	-0.054

	x	y	z	Total
	0.141	-0.766	0.000	0.779
CHELPG
AIM
ESP

	x	y	z
x	2.840	-0.023	0.000
y	-0.023	4.349	0.000
z	0.000	0.000	3.736

<r²>	29.372
(<r²>)^1/2	5.420

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)