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	hartrees
Energy at 0K	-11.038625
Energy at 298.15K	-11.042590
HF Energy	-11.038625
Nuclear repulsion energy	18.571601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	2925	58.22
2	A'	3156	2845	18.01
3	A'	2635	2375	165.17
4	A'	1618	1459	8.29
5	A'	1502	1354	79.81
6	A'	1305	1177	51.02
7	A'	1162	1047	67.85
8	A'	995	897	11.19
9	A'	690	622	0.96
10	A"	3291	2967	71.86
11	A"	2692	2426	297.07
12	A"	1588	1432	9.72
13	A"	1147	1034	26.16
14	A"	731	659	1.72
15	A"	102	92	1.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.697	0.000
B2	-0.011	0.887	0.000
H3	1.042	-1.012	0.000
H4	-0.468	-1.129	0.890
H5	-0.468	-1.129	-0.890
H6	0.011	1.509	-1.030
H7	0.011	1.509	1.030

	C1	B2	H3	H4	H5	H6	H7
C1		1.5838	1.0996	1.0903	1.0903	2.4344	2.4344
B2	1.5838		2.1718	2.2510	2.2510	1.2031	1.2031
H3	1.0996	2.1718		1.7572	1.7572	2.9121	2.9121
H4	1.0903	2.2510	1.7572		1.7810	3.2980	2.6850
H5	1.0903	2.2510	1.7572	1.7810		2.6850	3.2980
H6	2.4344	1.2031	2.9121	3.2980	2.6850		2.0592
H7	2.4344	1.2031	2.9121	2.6850	3.2980	2.0592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.133	C1	B2	H7	121.133
B2	C1	H3	106.668	B2	C1	H4	113.369
B2	C1	H5	113.369	H3	C1	H4	106.721
H3	C1	H5	106.721	H4	C1	H5	109.516
H6	B2	H7	117.691

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/CEP-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	-0.254
2	B	-0.189
3	H	0.116
4	H	0.126
5	H	0.126
6	H	0.037
7	H	0.037

	x	y	z	Total
	0.098	-0.432	0.000	0.443
CHELPG
AIM
ESP

	x	y	z
x	2.533	0.003	0.000
y	0.003	3.366	0.000
z	0.000	0.000	2.971

<r²>	27.115
(<r²>)^1/2	5.207

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)