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	hartrees
Energy at 0K	-65.244770
Energy at 298.15K	-65.248673
HF Energy	-65.077629
Nuclear repulsion energy	31.459330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3092	3092	12.77
2	A'	3000	3000	3.79
3	A'	2604	2604	81.72
4	A'	1566	1566	3.67
5	A'	1430	1430	47.73
6	A'	1289	1289	46.81
7	A'	1124	1124	86.07
8	A'	964	964	13.43
9	A'	663	663	0.18
10	A"	3136	3136	17.35
11	A"	2678	2678	128.96
12	A"	1538	1538	4.74
13	A"	1116	1116	23.95
14	A"	718	718	0.49
15	A"	87	87	1.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.697	0.000
B2	-0.012	0.888	0.000
H3	1.049	-1.014	0.000
H4	-0.470	-1.133	0.896
H5	-0.470	-1.133	-0.896
H6	0.014	1.510	-1.031
H7	0.014	1.510	1.031

	C1	B2	H3	H4	H5	H6	H7
C1		1.5844	1.1079	1.0969	1.0969	2.4361	2.4361
B2	1.5844		2.1782	2.2573	2.2573	1.2047	1.2047
H3	1.1079	2.1782		1.7679	1.7679	2.9169	2.9169
H4	1.0969	2.2573	1.7679		1.7928	3.3068	2.6903
H5	1.0969	2.2573	1.7679	1.7928		2.6903	3.3068
H6	2.4361	1.2047	2.9169	3.3068	2.6903		2.0622
H7	2.4361	1.2047	2.9169	2.6903	3.3068	2.0622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.112	C1	B2	H7	121.112
B2	C1	H3	106.666	B2	C1	H4	113.423
B2	C1	H5	113.423	H3	C1	H4	106.606
H3	C1	H5	106.606	H4	C1	H5	109.612
H6	B2	H7	117.715

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)