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	hartrees
Energy at 0K	-65.746601
Energy at 298.15K	-65.750552
HF Energy	-65.464579
Nuclear repulsion energy	31.787035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3112	2970	16.90
2	A'	3014	2876	4.30
3	A'	2617	2497	107.00
4	A'	1504	1436	2.82
5	A'	1363	1301	64.67
6	A'	1290	1231	27.89
7	A'	1113	1062	67.45
8	A'	979	934	11.56
9	A'	571	545	1.28
10	A"	3160	3016	20.47
11	A"	2688	2565	155.91
12	A"	1462	1395	4.36
13	A"	1091	1041	18.28
14	A"	696	665	2.07
15	A"	151	144	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.687	0.000
B2	-0.017	0.875	0.000
H3	1.052	-0.959	0.000
H4	-0.450	-1.138	0.894
H5	-0.450	-1.138	-0.894
H6	0.015	1.489	-1.024
H7	0.015	1.489	1.024

	C1	B2	H3	H4	H5	H6	H7
C1		1.5618	1.1024	1.0909	1.0909	2.4052	2.4052
B2	1.5618		2.1223	2.2448	2.2448	1.1945	1.1945
H3	1.1024	2.1223		1.7564	1.7564	2.8487	2.8487
H4	1.0909	2.2448	1.7564		1.7877	3.2859	2.6713
H5	1.0909	2.2448	1.7564	1.7877		2.6713	3.2859
H6	2.4052	1.1945	2.8487	3.2859	2.6713		2.0479
H7	2.4052	1.1945	2.8487	2.6713	3.2859	2.0479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.946	C1	B2	H7	120.946
B2	C1	H3	104.280	B2	C1	H4	114.437
B2	C1	H5	114.437	H3	C1	H4	106.412
H3	C1	H5	106.412	H4	C1	H5	110.044
H6	B2	H7	118.014

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)