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	hartrees
Energy at 0K	-65.751610
Energy at 298.15K	-65.755564
HF Energy	-65.451906
Nuclear repulsion energy	31.764056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	2982	9.88
2	A'	3049	2888	2.30
3	A'	2641	2502	89.02
4	A'	1514	1434	1.48
5	A'	1363	1291	55.78
6	A'	1285	1217	23.45
7	A'	1110	1051	68.77
8	A'	979	927	12.23
9	A'	569	539	0.79
10	A"	3199	3030	11.65
11	A"	2718	2574	123.81
12	A"	1477	1399	2.98
13	A"	1086	1028	19.35
14	A"	691	654	0.74
15	A"	160	151	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.687	0.000
B2	-0.017	0.877	0.000
H3	1.051	-0.958	0.000
H4	-0.445	-1.143	0.894
H5	-0.445	-1.143	-0.894
H6	0.014	1.490	-1.024
H7	0.014	1.490	1.024

	C1	B2	H3	H4	H5	H6	H7
C1		1.5648	1.1022	1.0906	1.0906	2.4066	2.4066
B2	1.5648		2.1236	2.2505	2.2505	1.1938	1.1938
H3	1.1022	2.1236		1.7527	1.7527	2.8491	2.8491
H4	1.0906	2.2505	1.7527		1.7873	3.2900	2.6765
H5	1.0906	2.2505	1.7527	1.7873		2.6765	3.2900
H6	2.4066	1.1938	2.8491	3.2900	2.6765		2.0479
H7	2.4066	1.1938	2.8491	2.6765	3.2900	2.0479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.891	C1	B2	H7	120.891
B2	C1	H3	104.205	B2	C1	H4	114.711
B2	C1	H5	114.711	H3	C1	H4	106.119
H3	C1	H5	106.119	H4	C1	H5	110.049
H6	B2	H7	118.127

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)