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	hartrees
Energy at 0K	-65.550380
Energy at 298.15K	-65.554292
HF Energy	-65.550380
Nuclear repulsion energy	31.941699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3020	2983	6.84
2	A'	2897	2861	7.05
3	A'	2506	2475	94.13
4	A'	1403	1386	6.97
5	A'	1262	1246	99.46
6	A'	1178	1163	3.28
7	A'	1034	1021	49.29
8	A'	982	970	11.93
9	A'	478	473	2.41
10	A"	3080	3042	5.42
11	A"	2583	2551	121.69
12	A"	1340	1323	7.29
13	A"	1016	1004	19.50
14	A"	656	648	0.20
15	A"	213	210	4.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.026	-0.672	0.000
B2	-0.026	0.857	0.000
H3	1.071	-0.884	0.000
H4	-0.411	-1.160	0.907
H5	-0.411	-1.160	-0.907
H6	0.016	1.475	-1.034
H7	0.016	1.475	1.034

	C1	B2	H3	H4	H5	H6	H7
C1		1.5293	1.1166	1.0995	1.0995	2.3838	2.3838
B2	1.5293		2.0575	2.2449	2.2449	1.2057	1.2057
H3	1.1166	2.0575		1.7591	1.7591	2.7832	2.7832
H4	1.0995	2.2449	1.7591		1.8138	3.3007	2.6725
H5	1.0995	2.2449	1.7591	1.8138		2.6725	3.3007
H6	2.3838	1.2057	2.7832	3.3007	2.6725		2.0689
H7	2.3838	1.2057	2.7832	2.6725	3.3007	2.0689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.831	C1	B2	H7	120.831
B2	C1	H3	100.933	B2	C1	H4	116.333
B2	C1	H5	116.333	H3	C1	H4	105.076
H3	C1	H5	105.076	H4	C1	H5	111.139
H6	B2	H7	118.179

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.550
2	B	0.023
3	H	0.164
4	H	0.162
5	H	0.162
6	H	0.019
7	H	0.019

	x	y	z	Total
	0.200	-0.867	0.000	0.890
CHELPG
AIM
ESP

	x	y	z
x	3.191	-0.034	0.000
y	-0.034	4.959	0.000
z	0.000	0.000	4.270

<r²>	29.099
(<r²>)^1/2	5.394

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: LSDA/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)