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	hartrees
Energy at 0K	-65.778660
Energy at 298.15K	-65.782626
HF Energy	-65.470918
Nuclear repulsion energy	31.924147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	2979	9.47
2	A'	3022	2870	2.53
3	A'	2621	2490	109.55
4	A'	1493	1418	2.38
5	A'	1334	1267	78.93
6	A'	1273	1209	13.28
7	A'	1099	1043	65.74
8	A'	984	934	12.70
9	A'	552	524	0.78
10	A"	3193	3033	10.13
11	A"	2697	2562	152.71
12	A"	1447	1374	3.96
13	A"	1076	1021	18.78
14	A"	687	653	1.21
15	A"	175	166	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.683	0.000
B2	-0.019	0.871	0.000
H3	1.050	-0.938	0.000
H4	-0.436	-1.141	0.892
H5	-0.436	-1.141	-0.892
H6	0.015	1.481	-1.023
H7	0.015	1.481	1.023

	C1	B2	H3	H4	H5	H6	H7
C1		1.5540	1.0996	1.0862	1.0862	2.3932	2.3932
B2	1.5540		2.1018	2.2405	2.2405	1.1909	1.1909
H3	1.0996	2.1018		1.7452	1.7452	2.8227	2.8227
H4	1.0862	2.2405	1.7452		1.7843	3.2778	2.6637
H5	1.0862	2.2405	1.7452	1.7843		2.6637	3.2778
H6	2.3932	1.1909	2.8227	3.2778	2.6637		2.0451
H7	2.3932	1.1909	2.8227	2.6637	3.2778	2.0451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.780	C1	B2	H7	120.780
B2	C1	H3	103.427	B2	C1	H4	114.971
B2	C1	H5	114.971	H3	C1	H4	105.964
H3	C1	H5	105.964	H4	C1	H5	110.448
H6	B2	H7	118.332

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: MP2/aug-cc-pVQZ

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: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)