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	hartrees
Energy at 0K	-65.718860
Energy at 298.15K	-65.722803
HF Energy	-65.448659
Nuclear repulsion energy	31.785677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	2973	17.26
2	A'	3061	2881	3.70
3	A'	2656	2501	100.84
4	A'	1538	1448	1.24
5	A'	1394	1312	56.03
6	A'	1308	1231	32.06
7	A'	1127	1061	76.57
8	A'	988	930	10.61
9	A'	595	560	0.59
10	A"	3207	3019	21.43
11	A"	2730	2570	153.46
12	A"	1501	1413	2.56
13	A"	1103	1039	19.52
14	A"	706	664	1.47
15	A"	135	127	1.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.016	-0.688	0.000
B2	-0.016	0.877	0.000
H3	1.047	-0.974	0.000
H4	-0.454	-1.135	0.892
H5	-0.454	-1.135	-0.892
H6	0.016	1.491	-1.021
H7	0.016	1.491	1.021

	C1	B2	H3	H4	H5	H6	H7
C1		1.5648	1.1000	1.0897	1.0897	2.4063	2.4063
B2	1.5648		2.1339	2.2439	2.2439	1.1916	1.1916
H3	1.1000	2.1339		1.7528	1.7528	2.8598	2.8598
H4	1.0897	2.2439	1.7528		1.7841	3.2824	2.6707
H5	1.0897	2.2439	1.7528	1.7841		2.6707	3.2824
H6	2.4063	1.1916	2.8598	3.2824	2.6707		2.0414
H7	2.4063	1.1916	2.8598	2.6707	3.2824	2.0414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.017	C1	B2	H7	121.017
B2	C1	H3	105.072	B2	C1	H4	114.217
B2	C1	H5	114.217	H3	C1	H4	106.354
H3	C1	H5	106.354	H4	C1	H5	109.888
H6	B2	H7	117.873

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)