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	hartrees
Energy at 0K	-65.221349
Energy at 298.15K	-65.225260
HF Energy	-65.077761
Nuclear repulsion energy	31.504194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	2962	11.08
2	A'	3019	2872	2.88
3	A'	2631	2502	87.38
4	A'	1575	1498	3.57
5	A'	1432	1362	49.73
6	A'	1302	1239	49.66
7	A'	1135	1080	91.97
8	A'	969	922	14.26
9	A'	664	632	0.13
10	A"	3160	3006	15.06
11	A"	2705	2574	139.22
12	A"	1545	1470	4.68
13	A"	1123	1068	24.83
14	A"	723	688	0.45
15	A"	88	84	1.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-0.696	0.000
B2	-0.013	0.887	0.000
H3	1.048	-1.012	0.000
H4	-0.469	-1.132	0.896
H5	-0.469	-1.132	-0.896
H6	0.014	1.507	-1.029
H7	0.014	1.507	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5827	1.1067	1.0956	1.0956	2.4316	2.4316
B2	1.5827		2.1749	2.2553	2.2553	1.2016	1.2016
H3	1.1067	2.1749		1.7654	1.7654	2.9110	2.9110
H4	1.0956	2.2553	1.7654		1.7912	3.3018	2.6864
H5	1.0956	2.2553	1.7654	1.7912		2.6864	3.3018
H6	2.4316	1.2016	2.9110	3.3018	2.6864		2.0573
H7	2.4316	1.2016	2.9110	2.6864	3.3018	2.0573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.087	C1	B2	H7	121.087
B2	C1	H3	106.593	B2	C1	H4	113.465
B2	C1	H5	113.465	H3	C1	H4	106.569
H3	C1	H5	106.569	H4	C1	H5	109.661
H6	B2	H7	117.762

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)