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	hartrees
Energy at 0K	-11.416469
Energy at 298.15K	-11.420399
HF Energy	-11.416469
Nuclear repulsion energy	18.499833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3143	30.68
2	A'	3036	3036	3.13
3	A'	2544	2544	139.03
4	A'	1512	1512	11.33
5	A'	1393	1393	108.65
6	A'	1233	1233	28.77
7	A'	1093	1093	51.05
8	A'	970	970	12.15
9	A'	625	625	0.82
10	A"	3192	3192	38.42
11	A"	2609	2609	229.53
12	A"	1479	1479	13.28
13	A"	1073	1073	24.23
14	A"	694	694	0.08
15	A"	133	133	3.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.695	0.000
B2	-0.014	0.884	0.000
H3	1.056	-0.994	0.000
H4	-0.462	-1.138	0.902
H5	-0.462	-1.138	-0.902
H6	0.011	1.508	-1.036
H7	0.011	1.508	1.036

	C1	B2	H3	H4	H5	H6	H7
C1		1.5790	1.1108	1.1006	1.1006	2.4344	2.4344
B2	1.5790		2.1612	2.2590	2.2590	1.2094	1.2094
H3	1.1108	2.1612		1.7720	1.7720	2.9022	2.9022
H4	1.1006	2.2590	1.7720		1.8047	3.3137	2.6911
H5	1.1006	2.2590	1.7720	1.8047		2.6911	3.3137
H6	2.4344	1.2094	2.9022	3.3137	2.6911		2.0716
H7	2.4344	1.2094	2.9022	2.6911	3.3137	2.0716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.055	C1	B2	H7	121.055
B2	C1	H3	105.605	B2	C1	H4	113.728
B2	C1	H5	113.728	H3	C1	H4	106.502
H3	C1	H5	106.502	H4	C1	H5	110.143
H6	B2	H7	117.835

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: wB97X-D/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	-0.277
2	B	-0.373
3	H	0.145
4	H	0.160
5	H	0.160
6	H	0.092
7	H	0.092

	x	y	z	Total
	0.151	-0.623	0.000	0.641
CHELPG
AIM
ESP

	x	y	z
x	2.673	-0.017	0.000
y	-0.017	3.686	0.000
z	0.000	0.000	3.020

<r²>	26.948
(<r²>)^1/2	5.191

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)