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	hartrees
Energy at 0K	-65.733296
Energy at 298.15K	-65.737223
HF Energy	-65.447695
Nuclear repulsion energy	31.500870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3093	3093	16.75
2	A'	2991	2991	4.43
3	A'	2575	2575	110.55
4	A'	1472	1472	1.58
5	A'	1330	1330	59.23
6	A'	1252	1252	27.06
7	A'	1086	1086	59.01
8	A'	967	967	10.67
9	A'	562	562	0.90
10	A"	3144	3144	20.70
11	A"	2643	2643	158.70
12	A"	1428	1428	2.92
13	A"	1064	1064	18.47
14	A"	675	675	2.09
15	A"	153	153	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.691	0.000
B2	-0.017	0.882	0.000
H3	1.062	-0.967	0.000
H4	-0.450	-1.151	0.903
H5	-0.450	-1.151	-0.903
H6	0.014	1.502	-1.037
H7	0.014	1.502	1.037

	C1	B2	H3	H4	H5	H6	H7
C1		1.5729	1.1138	1.1018	1.1018	2.4255	2.4255
B2	1.5729		2.1409	2.2662	2.2662	1.2085	1.2085
H3	1.1138	2.1409		1.7701	1.7701	2.8752	2.8752
H4	1.1018	2.2662	1.7701		1.8059	3.3188	2.6961
H5	1.1018	2.2662	1.7701	1.8059		2.6961	3.3188
H6	2.4255	1.2085	2.8752	3.3188	2.6961		2.0744
H7	2.4255	1.2085	2.8752	2.6961	3.3188	2.0744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.834	C1	B2	H7	120.834
B2	C1	H3	104.361	B2	C1	H4	114.687
B2	C1	H5	114.687	H3	C1	H4	106.052
H3	C1	H5	106.052	H4	C1	H5	110.073
H6	B2	H7	118.243

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)