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	hartrees
Energy at 0K	-65.904648
Energy at 298.15K	-65.908606
HF Energy	-65.904648
Nuclear repulsion energy	31.928006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	2977	13.89
2	A'	2993	2873	4.45
3	A'	2567	2465	118.02
4	A'	1477	1418	3.59
5	A'	1326	1273	80.53
6	A'	1245	1196	17.39
7	A'	1079	1036	66.78
8	A'	983	944	12.71
9	A'	541	519	0.97
10	A"	3155	3029	16.05
11	A"	2638	2532	163.20
12	A"	1427	1370	4.95
13	A"	1060	1018	20.52
14	A"	682	655	0.85
15	A"	183	175	2.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	-0.680	0.000
B2	-0.020	0.867	0.000
H3	1.054	-0.931	0.000
H4	-0.431	-1.145	0.895
H5	-0.431	-1.145	-0.895
H6	0.015	1.481	-1.025
H7	0.015	1.481	1.025

	C1	B2	H3	H4	H5	H6	H7
C1		1.5468	1.1037	1.0897	1.0897	2.3918	2.3918
B2	1.5468		2.0952	2.2408	2.2408	1.1952	1.1952
H3	1.1037	2.0952		1.7478	1.7478	2.8198	2.8198
H4	1.0897	2.2408	1.7478		1.7903	3.2840	2.6675
H5	1.0897	2.2408	1.7478	1.7903		2.6675	3.2840
H6	2.3918	1.1952	2.8198	3.2840	2.6675		2.0496
H7	2.3918	1.1952	2.8198	2.6675	3.2840	2.0496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.914	C1	B2	H7	120.914
B2	C1	H3	103.191	B2	C1	H4	115.304
B2	C1	H5	115.304	H3	C1	H4	105.661
H3	C1	H5	105.661	H4	C1	H5	110.468
H6	B2	H7	118.058

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B1B95/6-311G**

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	-0.482
2	B	0.130
3	H	0.131
4	H	0.132
5	H	0.132
6	H	-0.022
7	H	-0.022

	x	y	z	Total
	0.121	-0.693	0.000	0.704
CHELPG
AIM
ESP

	x	y	z
x	3.054	-0.026	0.000
y	-0.026	4.628	0.000
z	0.000	0.000	4.089

<r²>	29.127
(<r²>)^1/2	5.397

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)