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	hartrees
Energy at 0K	-65.078091
Energy at 298.15K	-65.082069
HF Energy	-65.078091
Nuclear repulsion energy	31.710186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	2899	15.85
2	A'	3121	2817	5.63
3	A'	2693	2431	109.94
4	A'	1643	1483	4.82
5	A'	1510	1363	61.55
6	A'	1348	1217	61.22
7	A'	1176	1062	116.81
8	A'	993	897	14.39
9	A'	713	643	1.10
10	A"	3251	2934	21.08
11	A"	2757	2489	180.62
12	A"	1616	1459	6.47
13	A"	1170	1056	29.86
14	A"	748	675	1.07
15	A"	94	85	1.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.692	0.000
B2	-0.011	0.884	0.000
H3	1.036	-1.015	0.000
H4	-0.466	-1.125	0.885
H5	-0.466	-1.125	-0.885
H6	0.010	1.499	-1.021
H7	0.010	1.499	1.021

	C1	B2	H3	H4	H5	H6	H7
C1		1.5765	1.0960	1.0855	1.0855	2.4177	2.4177
B2	1.5765		2.1691	2.2425	2.2425	1.1920	1.1920
H3	1.0960	2.1691		1.7472	1.7472	2.9012	2.9012
H4	1.0855	2.2425	1.7472		1.7707	3.2785	2.6708
H5	1.0855	2.2425	1.7472	1.7707		2.6708	3.2785
H6	2.4177	1.1920	2.9012	3.2785	2.6708		2.0418
H7	2.4177	1.1920	2.9012	2.6708	3.2785	2.0418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.059	C1	B2	H7	121.059
B2	C1	H3	107.140	B2	C1	H4	113.507
B2	C1	H5	113.507	H3	C1	H4	106.439
H3	C1	H5	106.439	H4	C1	H5	109.295
H6	B2	H7	117.839

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/3-21G*

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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Number	Element	Mulliken
1	C	-0.938
2	B	0.420
3	H	0.212
4	H	0.208
5	H	0.208
6	H	-0.056
7	H	-0.056

	x	y	z	Total
	0.095	-0.476	0.000	0.486
CHELPG
AIM
ESP

	x	y	z
x	2.512	-0.019	0.000
y	-0.019	3.618	0.000
z	0.000	0.000	3.378

<r²>	29.735
(<r²>)^1/2	5.453

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)