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	hartrees
Energy at 0K	-65.956294
Energy at 298.15K	-65.960210
HF Energy	-65.956294
Nuclear repulsion energy	31.746632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3073	2958	16.37
2	A'	2973	2862	4.71
3	A'	2584	2488	120.88
4	A'	1483	1428	3.82
5	A'	1337	1287	77.38
6	A'	1254	1207	22.64
7	A'	1090	1050	68.59
8	A'	968	932	12.69
9	A'	562	541	0.39
10	A"	3122	3006	19.22
11	A"	2650	2552	177.65
12	A"	1438	1384	5.97
13	A"	1063	1024	19.80
14	A"	684	659	1.10
15	A"	151	145	1.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.684	0.000
B2	-0.018	0.875	0.000
H3	1.055	-0.958	0.000
H4	-0.443	-1.146	0.897
H5	-0.443	-1.146	-0.897
H6	0.014	1.491	-1.027
H7	0.014	1.491	1.027

	C1	B2	H3	H4	H5	H6	H7
C1		1.5591	1.1070	1.0948	1.0948	2.4056	2.4056
B2	1.5591		2.1237	2.2513	2.2513	1.1980	1.1980
H3	1.1070	2.1237		1.7559	1.7559	2.8522	2.8522
H4	1.0948	2.2513	1.7559		1.7944	3.2960	2.6793
H5	1.0948	2.2513	1.7559	1.7944		2.6793	3.2960
H6	2.4056	1.1980	2.8522	3.2960	2.6793		2.0537
H7	2.4056	1.1980	2.8522	2.6793	3.2960	2.0537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.954	C1	B2	H7	120.954
B2	C1	H3	104.321	B2	C1	H4	114.934
B2	C1	H5	114.934	H3	C1	H4	105.777
H3	C1	H5	105.777	H4	C1	H5	110.065
H6	B2	H7	117.998

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.605
2	B	0.189
3	H	0.159
4	H	0.160
5	H	0.160
6	H	-0.032
7	H	-0.032

	x	y	z	Total
	0.114	-0.662	0.000	0.671
CHELPG
AIM
ESP

	x	y	z
x	3.053	-0.029	0.000
y	-0.029	4.717	0.000
z	0.000	0.000	4.072

<r²>	29.503
(<r²>)^1/2	5.432

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)