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	hartrees
Energy at 0K	-65.683513
Energy at 298.15K	-65.687467
HF Energy	-65.452010
Nuclear repulsion energy	31.730359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	2913	16.55
2	A'	3041	2826	3.50
3	A'	2591	2407	106.39
4	A'	1534	1425	5.43
5	A'	1394	1295	65.89
6	A'	1274	1184	31.19
7	A'	1119	1040	68.51
8	A'	981	912	10.72
9	A'	598	556	0.43
10	A"	3184	2958	19.64
11	A"	2662	2473	159.39
12	A"	1502	1396	6.27
13	A"	1099	1021	21.87
14	A"	703	653	1.17
15	A"	142	132	1.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.016	-0.687	0.000
B2	-0.016	0.877	0.000
H3	1.048	-0.974	0.000
H4	-0.451	-1.138	0.893
H5	-0.451	-1.138	-0.893
H6	0.014	1.494	-1.028
H7	0.014	1.494	1.028

	C1	B2	H3	H4	H5	H6	H7
C1		1.5645	1.1020	1.0911	1.0911	2.4120	2.4120
B2	1.5645		2.1353	2.2471	2.2471	1.1996	1.1996
H3	1.1020	2.1353		1.7526	1.7526	2.8669	2.8669
H4	1.0911	2.2471	1.7526		1.7864	3.2923	2.6768
H5	1.0911	2.2471	1.7526	1.7864		2.6768	3.2923
H6	2.4120	1.1996	2.8669	3.2923	2.6768		2.0564
H7	2.4120	1.1996	2.8669	2.6768	3.2923	2.0564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.962	C1	B2	H7	120.962
B2	C1	H3	105.083	B2	C1	H4	114.420
B2	C1	H5	114.420	H3	C1	H4	106.098
H3	C1	H5	106.098	H4	C1	H5	109.900
H6	B2	H7	117.994

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)