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	hartrees
Energy at 0K	-65.854089
Energy at 298.15K	-65.858014
HF Energy	-65.854089
Nuclear repulsion energy	31.796193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	2975	12.15
2	A'	3013	2875	3.07
3	A'	2591	2472	104.94
4	A'	1486	1418	2.19
5	A'	1340	1279	71.92
6	A'	1252	1194	17.48
7	A'	1086	1037	71.32
8	A'	982	937	11.27
9	A'	556	531	0.82
10	A"	3172	3027	13.76
11	A"	2665	2543	149.02
12	A"	1442	1376	3.91
13	A"	1063	1014	20.52
14	A"	682	651	0.34
15	A"	160	152	2.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.683	0.000
B2	-0.019	0.872	0.000
H3	1.054	-0.949	0.000
H4	-0.440	-1.145	0.897
H5	-0.440	-1.145	-0.897
H6	0.015	1.490	-1.028
H7	0.015	1.490	1.028

	C1	B2	H3	H4	H5	H6	H7
C1		1.5545	1.1052	1.0932	1.0932	2.4040	2.4040
B2	1.5545		2.1132	2.2469	2.2469	1.2002	1.2002
H3	1.1052	2.1132		1.7532	1.7532	2.8433	2.8433
H4	1.0932	2.2469	1.7532		1.7938	3.2948	2.6770
H5	1.0932	2.2469	1.7532	1.7938		2.6770	3.2948
H6	2.4040	1.2002	2.8433	3.2948	2.6770		2.0565
H7	2.4040	1.2002	2.8433	2.6770	3.2948	2.0565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.999	C1	B2	H7	120.999
B2	C1	H3	103.936	B2	C1	H4	115.008
B2	C1	H5	115.008	H3	C1	H4	105.776
H3	C1	H5	105.776	H4	C1	H5	110.250
H6	B2	H7	117.897

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HSEh1PBE/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	-0.528
2	B	0.175
3	H	0.149
4	H	0.143
5	H	0.143
6	H	-0.042
7	H	-0.042

	x	y	z	Total
	0.137	-0.723	0.000	0.735
CHELPG
AIM
ESP

	x	y	z
x	2.788	-0.013	0.000
y	-0.013	4.212	0.000
z	0.000	0.000	3.707

<r²>	29.092
(<r²>)^1/2	5.394

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)