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	hartrees
Energy at 0K	-65.224199
Energy at 298.15K	-65.228111
HF Energy	-65.077773
Nuclear repulsion energy	31.510406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	2952	11.01
2	A'	3020	2863	2.85
3	A'	2631	2494	87.20
4	A'	1575	1493	3.58
5	A'	1432	1358	49.89
6	A'	1303	1235	49.49
7	A'	1135	1076	91.93
8	A'	970	919	14.26
9	A'	664	630	0.12
10	A"	3160	2996	14.96
11	A"	2706	2565	138.87
12	A"	1545	1465	4.70
13	A"	1123	1065	24.86
14	A"	724	686	0.44
15	A"	88	83	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	-1.011	0.000
H4	-0.468	-1.132	0.895
H5	-0.468	-1.132	-0.895
H6	0.014	1.507	-1.029
H7	0.014	1.507	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5823	1.1065	1.0954	1.0954	2.4311	2.4311
B2	1.5823		2.1744	2.2548	2.2548	1.2014	1.2014
H3	1.1065	2.1744		1.7651	1.7651	2.9104	2.9104
H4	1.0954	2.2548	1.7651		1.7910	3.3012	2.6859
H5	1.0954	2.2548	1.7651	1.7910		2.6859	3.3012
H6	2.4311	1.2014	2.9104	3.3012	2.6859		2.0570
H7	2.4311	1.2014	2.9104	2.6859	3.3012	2.0570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.089	C1	B2	H7	121.089
B2	C1	H3	106.591	B2	C1	H4	113.467
B2	C1	H5	113.467	H3	C1	H4	106.567
H3	C1	H5	106.567	H4	C1	H5	109.662
H6	B2	H7	117.760

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: MP2=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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)