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	hartrees
Energy at 0K	-65.873389
Energy at 298.15K	-65.877330
HF Energy	-65.873389
Nuclear repulsion energy	31.893718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	2970	11.65
2	A'	2984	2870	3.90
3	A'	2565	2467	110.02
4	A'	1468	1411	2.81
5	A'	1317	1267	72.90
6	A'	1241	1194	15.82
7	A'	1079	1037	57.98
8	A'	979	942	11.88
9	A'	547	526	0.57
10	A"	3140	3020	13.17
11	A"	2634	2534	150.18
12	A"	1419	1364	4.81
13	A"	1057	1017	18.36
14	A"	679	653	0.89
15	A"	169	163	1.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.680	0.000
B2	-0.019	0.868	0.000
H3	1.054	-0.939	0.000
H4	-0.434	-1.144	0.895
H5	-0.434	-1.144	-0.895
H6	0.014	1.484	-1.026
H7	0.014	1.484	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5482	1.1040	1.0905	1.0905	2.3954	2.3954
B2	1.5482		2.1016	2.2414	2.2414	1.1975	1.1975
H3	1.1040	2.1016		1.7486	1.7486	2.8292	2.8292
H4	1.0905	2.2414	1.7486		1.7908	3.2868	2.6696
H5	1.0905	2.2414	1.7486	1.7908		2.6696	3.2868
H6	2.3954	1.1975	2.8292	3.2868	2.6696		2.0529
H7	2.3954	1.1975	2.8292	2.6696	3.2868	2.0529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.950	C1	B2	H7	120.950
B2	C1	H3	103.545	B2	C1	H4	115.203
B2	C1	H5	115.203	H3	C1	H4	105.649
H3	C1	H5	105.649	H4	C1	H5	110.393
H6	B2	H7	117.998

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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	-0.661
2	B	-0.065
3	H	0.249
4	H	0.234
5	H	0.234
6	H	0.004
7	H	0.004

	x	y	z	Total
	0.098	-0.694	0.000	0.701
CHELPG
AIM
ESP

	x	y	z
x	3.799	-0.038	0.000
y	-0.038	5.082	0.000
z	0.000	0.000	4.401

<r²>	29.198
(<r²>)^1/2	5.404

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)