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	hartrees
Energy at 0K	-65.677805
Energy at 298.15K	-65.681725
HF Energy	-65.441222
Nuclear repulsion energy	31.663879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	2940	15.15
2	A'	3021	2853	3.57
3	A'	2618	2472	95.81
4	A'	1532	1446	2.78
5	A'	1396	1318	55.77
6	A'	1286	1214	30.61
7	A'	1116	1053	69.34
8	A'	986	931	10.33
9	A'	604	570	0.31
10	A"	3160	2984	19.13
11	A"	2690	2540	145.86
12	A"	1500	1417	4.15
13	A"	1098	1037	20.05
14	A"	704	665	0.82
15	A"	125	118	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	-0.688	0.000
B2	-0.015	0.878	0.000
H3	1.051	-0.983	0.000
H4	-0.458	-1.137	0.896
H5	-0.458	-1.137	-0.896
H6	0.016	1.497	-1.029
H7	0.016	1.497	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5658	1.1059	1.0958	1.0958	2.4152	2.4152
B2	1.5658		2.1448	2.2491	2.2491	1.2010	1.2010
H3	1.1059	2.1448		1.7612	1.7612	2.8779	2.8779
H4	1.0958	2.2491	1.7612		1.7927	3.2965	2.6794
H5	1.0958	2.2491	1.7612	1.7927		2.6794	3.2965
H6	2.4152	1.2010	2.8779	3.2965	2.6794		2.0571
H7	2.4152	1.2010	2.8779	2.6794	3.2965	2.0571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.039	C1	B2	H7	121.039
B2	C1	H3	105.500	B2	C1	H4	114.184
B2	C1	H5	114.184	H3	C1	H4	106.244
H3	C1	H5	106.244	H4	C1	H5	109.760
H6	B2	H7	117.836

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD/6-31G*

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: CCSD/6-31G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)