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	hartrees
Energy at 0K	-11.064165
Energy at 298.15K	-11.068126
HF Energy	-11.064165
Nuclear repulsion energy	18.567781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	2915	46.26
2	A'	3165	2842	17.49
3	A'	2671	2398	160.38
4	A'	1610	1446	3.56
5	A'	1478	1327	61.34
6	A'	1318	1183	54.26
7	A'	1158	1040	64.77
8	A'	987	887	11.64
9	A'	646	580	1.90
10	A"	3290	2954	58.12
11	A"	2721	2443	282.71
12	A"	1578	1417	5.00
13	A"	1130	1015	21.50
14	A"	712	639	2.36
15	A"	123	110	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-0.697	0.000
B2	-0.013	0.888	0.000
H3	1.045	-0.999	0.000
H4	-0.463	-1.137	0.892
H5	-0.463	-1.137	-0.892
H6	0.013	1.507	-1.029
H7	0.013	1.507	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5850	1.1004	1.0915	1.0915	2.4326	2.4326
B2	1.5850		2.1637	2.2577	2.2577	1.2009	1.2009
H3	1.1004	2.1637		1.7571	1.7571	2.8994	2.8994
H4	1.0915	2.2577	1.7571		1.7845	3.3024	2.6898
H5	1.0915	2.2577	1.7571	1.7845		2.6898	3.3024
H6	2.4326	1.2009	2.8994	3.3024	2.6898		2.0573
H7	2.4326	1.2009	2.8994	2.6898	3.3024	2.0573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.040	C1	B2	H7	121.040
B2	C1	H3	105.946	B2	C1	H4	113.752
B2	C1	H5	113.752	H3	C1	H4	106.570
H3	C1	H5	106.570	H4	C1	H5	109.668
H6	B2	H7	117.859

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.254
2	B	-0.260
3	H	0.122
4	H	0.136
5	H	0.136
6	H	0.060
7	H	0.060

	x	y	z	Total
	0.069	-0.392	0.000	0.398
CHELPG
AIM
ESP

	x	y	z
x	2.602	0.005	0.000
y	0.005	3.477	0.000
z	0.000	0.000	3.000

<r²>	27.042
(<r²>)^1/2	5.200

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)