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	hartrees
Energy at 0K	-65.939025
Energy at 298.15K	-65.942973
HF Energy	-65.939025
Nuclear repulsion energy	31.865363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3096	2962	14.09
2	A'	2995	2865	3.62
3	A'	2568	2457	112.68
4	A'	1479	1415	3.78
5	A'	1330	1272	76.35
6	A'	1245	1191	18.44
7	A'	1083	1036	66.67
8	A'	981	939	12.17
9	A'	557	533	0.78
10	A"	3149	3013	15.88
11	A"	2640	2526	154.84
12	A"	1431	1369	5.23
13	A"	1062	1016	20.31
14	A"	685	656	0.69
15	A"	167	160	2.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.681	0.000
B2	-0.019	0.869	0.000
H3	1.054	-0.943	0.000
H4	-0.436	-1.144	0.896
H5	-0.436	-1.144	-0.896
H6	0.015	1.485	-1.026
H7	0.015	1.485	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5505	1.1045	1.0914	1.0914	2.3973	2.3973
B2	1.5505		2.1059	2.2431	2.2431	1.1973	1.1973
H3	1.1045	2.1059		1.7505	1.7505	2.8333	2.8333
H4	1.0914	2.2431	1.7505		1.7917	3.2881	2.6710
H5	1.0914	2.2431	1.7505	1.7917		2.6710	3.2881
H6	2.3973	1.1973	2.8333	3.2881	2.6710		2.0524
H7	2.3973	1.1973	2.8333	2.6710	3.2881	2.0524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.953	C1	B2	H7	120.953
B2	C1	H3	103.695	B2	C1	H4	115.109
B2	C1	H5	115.109	H3	C1	H4	105.723
H3	C1	H5	105.723	H4	C1	H5	110.336
H6	B2	H7	117.991

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: mPW1PW91/6-311G**

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	-0.481
2	B	0.115
3	H	0.130
4	H	0.132
5	H	0.132
6	H	-0.014
7	H	-0.014

	x	y	z	Total
	0.118	-0.674	0.000	0.684
CHELPG
AIM
ESP

	x	y	z
x	3.046	-0.025	0.000
y	-0.025	4.594	0.000
z	0.000	0.000	4.067

<r²>	29.188
(<r²>)^1/2	5.403

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)