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	hartrees
Energy at 0K	-65.856841
Energy at 298.15K
HF Energy	-65.776527
Nuclear repulsion energy	31.828200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3132	3132	14.16
2	A'	3031	3031	3.78
3	A'	2635	2635	103.14
4	A'	1518	1518	1.40
5	A'	1370	1370	63.71
6	A'	1287	1287	24.00
7	A'	1113	1113	75.99
8	A'	984	984	11.70
9	A'	577	577	0.51
10	A"	3183	3183	17.80
11	A"	2708	2708	152.89
12	A"	1475	1475	2.96
13	A"	1088	1088	19.90
14	A"	697	697	0.76
15	A"	148	148	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.684	0.000
B2	-0.017	0.874	0.000
H3	1.050	-0.960	0.000
H4	-0.445	-1.140	0.893
H5	-0.445	-1.140	-0.893
H6	0.015	1.488	-1.022
H7	0.015	1.488	1.022

	C1	B2	H3	H4	H5	H6	H7
C1		1.5583	1.1018	1.0903	1.0903	2.4013	2.4013
B2	1.5583		2.1217	2.2441	2.2441	1.1931	1.1931
H3	1.1018	2.1217		1.7508	1.7508	2.8478	2.8478
H4	1.0903	2.2441	1.7508		1.7867	3.2844	2.6710
H5	1.0903	2.2441	1.7508	1.7867		2.6710	3.2844
H6	2.4013	1.1931	2.8478	3.2844	2.6710		2.0446
H7	2.4013	1.1931	2.8478	2.6710	3.2844	2.0446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.991	C1	B2	H7	120.991
B2	C1	H3	104.498	B2	C1	H4	114.679
B2	C1	H5	114.679	H3	C1	H4	106.009
H3	C1	H5	106.009	H4	C1	H5	110.041
H6	B2	H7	117.924

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)