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	hartrees
Energy at 0K	-65.840294
Energy at 298.15K	-65.844196
HF Energy	-65.840294
Nuclear repulsion energy	31.708918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3009	2982	13.39
2	A'	2904	2877	4.48
3	A'	2505	2482	108.45
4	A'	1428	1415	3.34
5	A'	1278	1266	77.64
6	A'	1200	1189	14.11
7	A'	1049	1039	57.73
8	A'	963	954	11.67
9	A'	524	519	1.04
10	A"	3063	3035	15.33
11	A"	2576	2552	145.31
12	A"	1377	1364	4.98
13	A"	1027	1018	18.86
14	A"	664	658	0.56
15	A"	176	174	2.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	-0.682	0.000
B2	-0.021	0.871	0.000
H3	1.065	-0.933	0.000
H4	-0.430	-1.157	0.904
H5	-0.430	-1.157	-0.904
H6	0.014	1.491	-1.034
H7	0.014	1.491	1.034

	C1	B2	H3	H4	H5	H6	H7
C1		1.5531	1.1146	1.1000	1.1000	2.4060	2.4060
B2	1.5531		2.1056	2.2577	2.2577	1.2054	1.2054
H3	1.1146	2.1056		1.7613	1.7613	2.8362	2.8362
H4	1.1000	2.2577	1.7613		1.8081	3.3106	2.6874
H5	1.1000	2.2577	1.7613	1.8081		2.6874	3.3106
H6	2.4060	1.2054	2.8362	3.3106	2.6874		2.0672
H7	2.4060	1.2054	2.8362	2.6874	3.3106	2.0672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.912	C1	B2	H7	120.912
B2	C1	H3	103.005	B2	C1	H4	115.578
B2	C1	H5	115.578	H3	C1	H4	105.368
H3	C1	H5	105.368	H4	C1	H5	110.541
H6	B2	H7	118.065

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: PBEPBE/6-311G**

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	-0.461
2	B	0.080
3	H	0.133
4	H	0.132
5	H	0.132
6	H	-0.008
7	H	-0.008

	x	y	z	Total
	0.144	-0.772	0.000	0.786
CHELPG
AIM
ESP

	x	y	z
x	3.163	-0.036	0.000
y	-0.036	4.902	0.000
z	0.000	0.000	4.234

<r²>	29.464
(<r²>)^1/2	5.428

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)