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	hartrees
Energy at 0K	-65.841935
Energy at 298.15K	-65.845854
HF Energy	-65.841935
Nuclear repulsion energy	31.757489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3119	2972	11.91
2	A'	3017	2875	3.23
3	A'	2604	2482	105.61
4	A'	1504	1433	2.85
5	A'	1358	1295	70.84
6	A'	1255	1196	22.58
7	A'	1087	1036	73.39
8	A'	982	936	11.04
9	A'	563	536	0.76
10	A"	3170	3021	13.91
11	A"	2678	2552	151.99
12	A"	1465	1396	4.80
13	A"	1068	1018	21.37
14	A"	682	650	0.33
15	A"	151	144	2.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.684	0.000
B2	-0.018	0.873	0.000
H3	1.054	-0.957	0.000
H4	-0.443	-1.145	0.897
H5	-0.443	-1.145	-0.897
H6	0.015	1.492	-1.029
H7	0.015	1.492	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5565	1.1062	1.0946	1.0946	2.4067	2.4067
B2	1.5565		2.1206	2.2486	2.2486	1.2014	1.2014
H3	1.1062	2.1206		1.7553	1.7553	2.8519	2.8519
H4	1.0946	2.2486	1.7553		1.7941	3.2973	2.6793
H5	1.0946	2.2486	1.7553	1.7941		2.6793	3.2973
H6	2.4067	1.2014	2.8519	3.2973	2.6793		2.0584
H7	2.4067	1.2014	2.8519	2.6793	3.2973	2.0584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.005	C1	B2	H7	121.005
B2	C1	H3	104.303	B2	C1	H4	114.918
B2	C1	H5	114.918	H3	C1	H4	105.800
H3	C1	H5	105.800	H4	C1	H5	110.076
H6	B2	H7	117.890

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	C	-0.671
2	B	0.124
3	H	0.192
4	H	0.188
5	H	0.188
6	H	-0.011
7	H	-0.011

	x	y	z	Total
	0.138	-0.709	0.000	0.723
CHELPG
AIM
ESP

	x	y	z
x	2.729	-0.015	0.000
y	-0.015	4.148	0.000
z	0.000	0.000	3.663

<r²>	29.149
(<r²>)^1/2	5.399

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)