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	hartrees
Energy at 0K	-65.847993
Energy at 298.15K	-65.851905
HF Energy	-65.847993
Nuclear repulsion energy	31.759934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	2964	12.55
2	A'	3014	2867	3.43
3	A'	2601	2474	106.57
4	A'	1504	1430	2.70
5	A'	1359	1292	69.55
6	A'	1255	1193	23.16
7	A'	1088	1035	73.29
8	A'	981	933	11.00
9	A'	564	536	0.70
10	A"	3168	3013	14.86
11	A"	2675	2544	153.74
12	A"	1466	1394	4.63
13	A"	1068	1016	21.19
14	A"	682	649	0.36
15	A"	151	144	2.21

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		1.5564	1.1060	1.0945	1.0945	2.4066	2.4066
B2	1.5564		2.1209	2.2485	2.2485	1.2012	1.2012
H3	1.1060	2.1209		1.7551	1.7551	2.8522	2.8522
H4	1.0945	2.2485	1.7551		1.7937	3.2969	2.6793
H5	1.0945	2.2485	1.7551	1.7937		2.6793	3.2969
H6	2.4066	1.2012	2.8522	3.2969	2.6793		2.0580
H7	2.4066	1.2012	2.8522	2.6793	3.2969	2.0580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.011	C1	B2	H7	121.011
B2	C1	H3	104.333	B2	C1	H4	114.916
B2	C1	H5	114.916	H3	C1	H4	105.799
H3	C1	H5	105.799	H4	C1	H5	110.055
H6	B2	H7	117.877

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	-0.660
2	B	0.123
3	H	0.190
4	H	0.185
5	H	0.185
6	H	-0.012
7	H	-0.012

	x	y	z	Total
	0.136	-0.710	0.000	0.723
CHELPG
AIM
ESP

	x	y	z
x	2.730	-0.015	0.000
y	-0.015	4.148	0.000
z	0.000	0.000	3.664

<r²>	29.149
(<r²>)^1/2	5.399

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)