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	hartrees
Energy at 0K	-65.248772
Energy at 298.15K	-65.252664
HF Energy	-65.077411
Nuclear repulsion energy	31.393996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3058	2974	13.54
2	A'	2968	2886	3.97
3	A'	2579	2508	78.03
4	A'	1555	1512	3.44
5	A'	1421	1382	45.32
6	A'	1277	1241	45.78
7	A'	1115	1084	83.44
8	A'	956	929	13.22
9	A'	659	641	0.21
10	A"	3102	3016	18.22
11	A"	2652	2579	122.90
12	A"	1528	1486	4.50
13	A"	1107	1077	23.13
14	A"	713	693	0.48
15	A"	84	82	1.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.698	0.000
B2	-0.012	0.890	0.000
H3	1.050	-1.020	0.000
H4	-0.472	-1.135	0.898
H5	-0.472	-1.135	-0.898
H6	0.015	1.513	-1.033
H7	0.015	1.513	1.033

	C1	B2	H3	H4	H5	H6	H7
C1		1.5873	1.1104	1.0996	1.0996	2.4406	2.4406
B2	1.5873		2.1850	2.2617	2.2617	1.2073	1.2073
H3	1.1104	2.1850		1.7715	1.7715	2.9250	2.9250
H4	1.0996	2.2617	1.7715		1.7963	3.3133	2.6955
H5	1.0996	2.2617	1.7715	1.7963		2.6955	3.3133
H6	2.4406	1.2073	2.9250	3.3133	2.6955		2.0667
H7	2.4406	1.2073	2.9250	2.6955	3.3133	2.0667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.102	C1	B2	H7	121.102
B2	C1	H3	106.848	B2	C1	H4	113.409
B2	C1	H5	113.409	H3	C1	H4	106.568
H3	C1	H5	106.568	H4	C1	H5	109.538
H6	B2	H7	117.732

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCD/3-21G

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: CCD/3-21G

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)