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	hartrees
Energy at 0K	-65.745120
Energy at 298.15K	-65.749075
HF Energy	-65.464595
Nuclear repulsion energy	31.796617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3122	2960	16.37
2	A'	3023	2866	3.79
3	A'	2624	2488	106.93
4	A'	1507	1429	2.98
5	A'	1366	1295	65.06
6	A'	1293	1226	28.09
7	A'	1115	1057	68.59
8	A'	980	929	11.63
9	A'	573	543	1.30
10	A"	3171	3006	19.34
11	A"	2697	2557	155.10
12	A"	1465	1389	4.45
13	A"	1093	1036	18.46
14	A"	698	661	2.06
15	A"	152	144	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.687	0.000
B2	-0.017	0.875	0.000
H3	1.051	-0.959	0.000
H4	-0.450	-1.137	0.893
H5	-0.450	-1.137	-0.893
H6	0.015	1.489	-1.023
H7	0.015	1.489	1.023

	C1	B2	H3	H4	H5	H6	H7
C1		1.5618	1.1018	1.0903	1.0903	2.4047	2.4047
B2	1.5618		2.1219	2.2441	2.2441	1.1939	1.1939
H3	1.1018	2.1219		1.7557	1.7557	2.8482	2.8482
H4	1.0903	2.2441	1.7557		1.7866	3.2846	2.6706
H5	1.0903	2.2441	1.7557	1.7866		2.6706	3.2846
H6	2.4047	1.1939	2.8482	3.2846	2.6706		2.0467
H7	2.4047	1.1939	2.8482	2.6706	3.2846	2.0467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.955	C1	B2	H7	120.955
B2	C1	H3	104.291	B2	C1	H4	114.423
B2	C1	H5	114.423	H3	C1	H4	106.434
H3	C1	H5	106.434	H4	C1	H5	110.027
H6	B2	H7	117.999

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)