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	hartrees
Energy at 0K	-65.788830
Energy at 298.15K	-65.792784
HF Energy	-65.466873
Nuclear repulsion energy	31.789099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3104	2970	12.89
2	A'	3004	2875	3.26
3	A'	2593	2481	108.25
4	A'	1504	1439	2.10
5	A'	1351	1293	59.27
6	A'	1273	1218	26.71
7	A'	1101	1054	61.82
8	A'	974	933	12.13
9	A'	576	551	0.78
10	A"	3153	3018	15.52
11	A"	2664	2549	154.33
12	A"	1460	1398	3.55
13	A"	1078	1032	18.56
14	A"	688	659	1.57
15	A"	155	148	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.686	0.000
B2	-0.017	0.876	0.000
H3	1.050	-0.961	0.000
H4	-0.446	-1.140	0.893
H5	-0.446	-1.140	-0.893
H6	0.013	1.489	-1.025
H7	0.013	1.489	1.025

	C1	B2	H3	H4	H5	H6	H7
C1		1.5626	1.1016	1.0895	1.0895	2.4051	2.4051
B2	1.5626		2.1242	2.2464	2.2464	1.1948	1.1948
H3	1.1016	2.1242		1.7513	1.7513	2.8510	2.8510
H4	1.0895	2.2464	1.7513		1.7859	3.2865	2.6719
H5	1.0895	2.2464	1.7513	1.7859		2.6719	3.2865
H6	2.4051	1.1948	2.8510	3.2865	2.6719		2.0504
H7	2.4051	1.1948	2.8510	2.6719	3.2865	2.0504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.859	C1	B2	H7	120.859
B2	C1	H3	104.417	B2	C1	H4	114.600
B2	C1	H5	114.600	H3	C1	H4	106.121
H3	C1	H5	106.121	H4	C1	H5	110.085
H6	B2	H7	118.203

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCD/aug-cc-pVTZ

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-pVTZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)