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	hartrees
Energy at 0K	-65.238648
Energy at 298.15K	-65.242549
HF Energy	-65.077674
Nuclear repulsion energy	31.466750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3096	2881	13.33
2	A'	3007	2798	4.02
3	A'	2609	2428	82.72
4	A'	1570	1461	3.71
5	A'	1437	1337	48.47
6	A'	1291	1201	47.83
7	A'	1128	1049	88.72
8	A'	965	898	13.38
9	A'	668	622	0.26
10	A"	3138	2920	18.02
11	A"	2681	2495	131.55
12	A"	1543	1436	4.89
13	A"	1119	1041	24.25
14	A"	720	670	0.54
15	A"	84	78	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.696	0.000
B2	-0.012	0.888	0.000
H3	1.047	-1.018	0.000
H4	-0.471	-1.132	0.896
H5	-0.471	-1.132	-0.896
H6	0.014	1.510	-1.031
H7	0.014	1.510	1.031

	C1	B2	H3	H4	H5	H6	H7
C1		1.5845	1.1072	1.0965	1.0965	2.4353	2.4353
B2	1.5845		2.1808	2.2567	2.2567	1.2039	1.2039
H3	1.1072	2.1808		1.7666	1.7666	2.9189	2.9189
H4	1.0965	2.2567	1.7666		1.7912	3.3052	2.6894
H5	1.0965	2.2567	1.7666	1.7912		2.6894	3.3052
H6	2.4353	1.2039	2.9189	3.3052	2.6894		2.0611
H7	2.4353	1.2039	2.9189	2.6894	3.3052	2.0611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.102	C1	B2	H7	121.102
B2	C1	H3	106.886	B2	C1	H4	113.394
B2	C1	H5	113.394	H3	C1	H4	106.572
H3	C1	H5	106.572	H4	C1	H5	109.525
H6	B2	H7	117.734

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CID/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: CID/3-21G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)