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	hartrees
Energy at 0K	-65.786505
Energy at 298.15K	-65.790463
HF Energy	-65.466535
Nuclear repulsion energy	31.799494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3100	2918	13.35
2	A'	3000	2824	3.97
3	A'	2589	2437	107.77
4	A'	1498	1410	1.92
5	A'	1348	1268	63.03
6	A'	1275	1200	22.48
7	A'	1101	1036	64.00
8	A'	976	919	12.17
9	A'	571	537	0.80
10	A"	3150	2964	16.74
11	A"	2659	2503	155.10
12	A"	1456	1370	3.23
13	A"	1079	1015	19.48
14	A"	689	648	1.41
15	A"	160	150	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.686	0.000
B2	-0.017	0.876	0.000
H3	1.050	-0.958	0.000
H4	-0.444	-1.141	0.893
H5	-0.444	-1.141	-0.893
H6	0.014	1.489	-1.025
H7	0.014	1.489	1.025

	C1	B2	H3	H4	H5	H6	H7
C1		1.5617	1.1015	1.0892	1.0892	2.4046	2.4046
B2	1.5617		2.1213	2.2461	2.2461	1.1948	1.1948
H3	1.1015	2.1213		1.7506	1.7506	2.8478	2.8478
H4	1.0892	2.2461	1.7506		1.7863	3.2867	2.6723
H5	1.0892	2.2461	1.7506	1.7863		2.6723	3.2867
H6	2.4046	1.1948	2.8478	3.2867	2.6723		2.0499
H7	2.4046	1.1948	2.8478	2.6723	3.2867	2.0499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.885	C1	B2	H7	120.885
B2	C1	H3	104.262	B2	C1	H4	114.660
B2	C1	H5	114.660	H3	C1	H4	106.083
H3	C1	H5	106.083	H4	C1	H5	110.160
H6	B2	H7	118.144

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD/cc-pVTZ

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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All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)