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	hartrees
Energy at 0K	-65.660739
Energy at 298.15K	-65.664676
HF Energy	-65.441387
Nuclear repulsion energy	31.728651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	2921	14.70
2	A'	3070	2836	3.13
3	A'	2656	2453	99.35
4	A'	1552	1434	2.95
5	A'	1416	1308	57.62
6	A'	1304	1204	32.71
7	A'	1132	1045	76.02
8	A'	993	917	10.36
9	A'	616	569	0.31
10	A"	3208	2964	17.99
11	A"	2729	2521	152.29
12	A"	1520	1404	4.38
13	A"	1112	1027	21.18
14	A"	712	657	0.89
15	A"	124	115	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	-0.687	0.000
B2	-0.015	0.877	0.000
H3	1.047	-0.984	0.000
H4	-0.458	-1.134	0.893
H5	-0.458	-1.134	-0.893
H6	0.015	1.495	-1.026
H7	0.015	1.495	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5648	1.1019	1.0922	1.0922	2.4115	2.4115
B2	1.5648		2.1425	2.2446	2.2446	1.1975	1.1975
H3	1.1019	2.1425		1.7557	1.7557	2.8739	2.8739
H4	1.0922	2.2446	1.7557		1.7862	3.2884	2.6740
H5	1.0922	2.2446	1.7557	1.7862		2.6740	3.2884
H6	2.4115	1.1975	2.8739	3.2884	2.6740		2.0511
H7	2.4115	1.1975	2.8739	2.6740	3.2884	2.0511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.043	C1	B2	H7	121.043
B2	C1	H3	105.599	B2	C1	H4	114.115
B2	C1	H5	114.115	H3	C1	H4	106.298
H3	C1	H5	106.298	H4	C1	H5	109.718
H6	B2	H7	117.834

All results from a given calculation for CH₃BH₂ (methylborane)

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

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)