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	hartrees
Energy at 0K	-65.456647
Energy at 298.15K	-65.460560
HF Energy	-65.407873
Nuclear repulsion energy	31.637213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	3097	11.16
2	A'	3000	3000	4.02
3	A'	2628	2628	88.55
4	A'	1559	1559	3.87
5	A'	1414	1414	58.52
6	A'	1284	1284	43.22
7	A'	1120	1120	86.85
8	A'	974	974	13.98
9	A'	649	649	0.10
10	A"	3142	3142	15.69
11	A"	2701	2701	136.25
12	A"	1528	1528	5.39
13	A"	1107	1107	24.83
14	A"	713	713	0.22
15	A"	99	99	2.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.690	0.000
B2	-0.014	0.881	0.000
H3	1.048	-1.001	0.000
H4	-0.462	-1.132	0.895
H5	-0.462	-1.132	-0.895
H6	0.013	1.499	-1.026
H7	0.013	1.499	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5712	1.1061	1.0943	1.0943	2.4175	2.4175
B2	1.5712		2.1611	2.2481	2.2481	1.1978	1.1978
H3	1.1061	2.1611		1.7604	1.7604	2.8939	2.8939
H4	1.0943	2.2481	1.7604		1.7901	3.2917	2.6762
H5	1.0943	2.2481	1.7604	1.7901		2.6762	3.2917
H6	2.4175	1.1978	2.8939	3.2917	2.6762		2.0518
H7	2.4175	1.1978	2.8939	2.6762	3.2917	2.0518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.041	C1	B2	H7	121.041
B2	C1	H3	106.343	B2	C1	H4	113.798
B2	C1	H5	113.798	H3	C1	H4	106.260
H3	C1	H5	106.260	H4	C1	H5	109.753
H6	B2	H7	117.856

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)