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	hartrees
Energy at 0K	-65.864700
Energy at 298.15K
HF Energy	-65.781806
Nuclear repulsion energy	31.822567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	3097	17.19
2	A'	2999	2999	4.87
3	A'	2582	2582	112.23
4	A'	1515	1515	4.66
5	A'	1368	1368	71.72
6	A'	1263	1263	28.10
7	A'	1101	1101	69.90
8	A'	976	976	11.70
9	A'	577	577	0.46
10	A"	3147	3147	21.80
11	A"	2652	2652	162.50
12	A"	1477	1477	5.97
13	A"	1083	1083	21.10
14	A"	695	695	1.06
15	A"	151	151	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.683	0.000
B2	-0.018	0.873	0.000
H3	1.050	-0.961	0.000
H4	-0.443	-1.142	0.894
H5	-0.443	-1.142	-0.894
H6	0.015	1.488	-1.025
H7	0.015	1.488	1.025

	C1	B2	H3	H4	H5	H6	H7
C1		1.5560	1.1033	1.0910	1.0910	2.4013	2.4013
B2	1.5560		2.1224	2.2448	2.2448	1.1960	1.1960
H3	1.1033	2.1224		1.7496	1.7496	2.8503	2.8503
H4	1.0910	2.2448	1.7496		1.7871	3.2876	2.6730
H5	1.0910	2.2448	1.7496	1.7871		2.6730	3.2876
H6	2.4013	1.1960	2.8503	3.2876	2.6730		2.0500
H7	2.4013	1.1960	2.8503	2.6730	3.2876	2.0500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.965	C1	B2	H7	120.965
B2	C1	H3	104.619	B2	C1	H4	114.870
B2	C1	H5	114.870	H3	C1	H4	105.756
H3	C1	H5	105.756	H4	C1	H5	109.972
H6	B2	H7	117.976

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-311G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)