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	hartrees
Energy at 0K	-65.967897
Energy at 298.15K	-65.971842
HF Energy	-65.967897
Nuclear repulsion energy	31.827293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3058	2956	15.79
2	A'	2960	2861	5.60
3	A'	2563	2478	112.71
4	A'	1480	1431	3.11
5	A'	1332	1288	69.67
6	A'	1250	1208	23.36
7	A'	1089	1053	66.34
8	A'	971	938	12.66
9	A'	569	550	0.61
10	A"	3106	3003	20.25
11	A"	2630	2542	158.15
12	A"	1433	1386	4.74
13	A"	1065	1030	19.63
14	A"	689	666	0.97
15	A"	159	154	1.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.682	0.000
B2	-0.018	0.872	0.000
H3	1.054	-0.953	0.000
H4	-0.440	-1.144	0.896
H5	-0.440	-1.144	-0.896
H6	0.014	1.486	-1.024
H7	0.014	1.486	1.024

	C1	B2	H3	H4	H5	H6	H7
C1		1.5541	1.1059	1.0928	1.0928	2.3984	2.3984
B2	1.5541		2.1164	2.2465	2.2465	1.1947	1.1947
H3	1.1059	2.1164		1.7524	1.7524	2.8426	2.8426
H4	1.0928	2.2465	1.7524		1.7920	3.2885	2.6728
H5	1.0928	2.2465	1.7524	1.7920		2.6728	3.2885
H6	2.3984	1.1947	2.8426	3.2885	2.6728		2.0484
H7	2.3984	1.1947	2.8426	2.6728	3.2885	2.0484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.946	C1	B2	H7	120.946
B2	C1	H3	104.162	B2	C1	H4	115.034
B2	C1	H5	115.034	H3	C1	H4	105.687
H3	C1	H5	105.687	H4	C1	H5	110.148
H6	B2	H7	118.015

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B3LYP/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	-0.424
2	B	0.133
3	H	0.116
4	H	0.117
5	H	0.117
6	H	-0.029
7	H	-0.029

	x	y	z	Total
	0.109	-0.655	0.000	0.664
CHELPG
AIM
ESP

	x	y	z
x	3.077	-0.029	0.000
y	-0.029	4.646	0.000
z	0.000	0.000	4.108

<r²>	29.366
(<r²>)^1/2	5.419

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)