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	hartrees
Energy at 0K	-65.866799
Energy at 298.15K	-65.870746
HF Energy	-65.866799
Nuclear repulsion energy	31.849536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3092	2970	13.68
2	A'	2989	2870	3.73
3	A'	2559	2458	112.15
4	A'	1473	1414	3.96
5	A'	1324	1271	77.41
6	A'	1238	1189	17.52
7	A'	1079	1036	65.05
8	A'	981	942	11.79
9	A'	552	530	0.81
10	A"	3146	3021	15.25
11	A"	2631	2526	154.26
12	A"	1425	1368	5.31
13	A"	1058	1017	20.21
14	A"	682	655	0.68
15	A"	171	165	2.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	-0.681	0.000
B2	-0.020	0.869	0.000
H3	1.056	-0.940	0.000
H4	-0.435	-1.146	0.897
H5	-0.435	-1.146	-0.897
H6	0.015	1.486	-1.028
H7	0.015	1.486	1.028

	C1	B2	H3	H4	H5	H6	H7
C1		1.5502	1.1058	1.0925	1.0925	2.3982	2.3982
B2	1.5502		2.1044	2.2444	2.2444	1.1989	1.1989
H3	1.1058	2.1044		1.7520	1.7520	2.8324	2.8324
H4	1.0925	2.2444	1.7520		1.7941	3.2911	2.6728
H5	1.0925	2.2444	1.7520	1.7941		2.6728	3.2911
H6	2.3982	1.1989	2.8324	3.2911	2.6728		2.0553
H7	2.3982	1.1989	2.8324	2.6728	3.2911	2.0553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.945	C1	B2	H7	120.945
B2	C1	H3	103.538	B2	C1	H4	115.176
B2	C1	H5	115.176	H3	C1	H4	105.687
H3	C1	H5	105.687	H4	C1	H5	110.393
H6	B2	H7	118.003

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HSEh1PBE/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	-0.480
2	B	0.099
3	H	0.133
4	H	0.134
5	H	0.134
6	H	-0.009
7	H	-0.009

	x	y	z	Total
	0.121	-0.687	0.000	0.697
CHELPG
AIM
ESP

	x	y	z
x	3.065	-0.025	0.000
y	-0.025	4.637	0.000
z	0.000	0.000	4.102

<r²>	29.237
(<r²>)^1/2	5.407

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)