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	hartrees
Energy at 0K	-65.726939
Energy at 298.15K	-65.730864
HF Energy	-65.447658
Nuclear repulsion energy	31.473358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	2987	16.24
2	A'	2994	2888	3.96
3	A'	2575	2483	110.83
4	A'	1472	1420	1.65
5	A'	1330	1283	59.36
6	A'	1253	1208	27.35
7	A'	1088	1050	59.96
8	A'	965	931	10.84
9	A'	564	544	0.92
10	A"	3148	3036	19.63
11	A"	2644	2550	159.08
12	A"	1429	1378	2.92
13	A"	1064	1026	18.70
14	A"	676	652	2.10
15	A"	152	146	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.692	0.000
B2	-0.017	0.883	0.000
H3	1.062	-0.970	0.000
H4	-0.451	-1.151	0.903
H5	-0.451	-1.151	-0.903
H6	0.014	1.503	-1.038
H7	0.014	1.503	1.038

	C1	B2	H3	H4	H5	H6	H7
C1		1.5749	1.1143	1.1023	1.1023	2.4279	2.4279
B2	1.5749		2.1444	2.2680	2.2680	1.2091	1.2091
H3	1.1143	2.1444		1.7710	1.7710	2.8793	2.8793
H4	1.1023	2.2680	1.7710		1.8065	3.3210	2.6981
H5	1.1023	2.2680	1.7710	1.8065		2.6981	3.3210
H6	2.4279	1.2091	2.8793	3.3210	2.6981		2.0754
H7	2.4279	1.2091	2.8793	2.6981	3.3210	2.0754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.835	C1	B2	H7	120.835
B2	C1	H3	104.460	B2	C1	H4	114.647
B2	C1	H5	114.647	H3	C1	H4	106.063
H3	C1	H5	106.063	H4	C1	H5	110.050
H6	B2	H7	118.244

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCD/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: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)