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	hartrees
Energy at 0K	-65.859766
Energy at 298.15K	-65.863705
HF Energy	-65.778692
Nuclear repulsion energy	31.812530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3121	2968	16.04
2	A'	3019	2871	3.80
3	A'	2625	2496	118.97
4	A'	1505	1432	3.76
5	A'	1360	1294	77.54
6	A'	1280	1217	23.92
7	A'	1109	1055	71.73
8	A'	979	931	12.07
9	A'	571	543	0.51
10	A"	3172	3016	18.22
11	A"	2695	2563	176.67
12	A"	1462	1390	5.74
13	A"	1083	1030	19.73
14	A"	695	661	1.39
15	A"	150	143	1.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.685	0.000
B2	-0.017	0.874	0.000
H3	1.051	-0.959	0.000
H4	-0.445	-1.140	0.894
H5	-0.445	-1.140	-0.894
H6	0.015	1.488	-1.023
H7	0.015	1.488	1.023

	C1	B2	H3	H4	H5	H6	H7
C1		1.5587	1.1029	1.0912	1.0912	2.4016	2.4016
B2	1.5587		2.1216	2.2453	2.2453	1.1937	1.1937
H3	1.1029	2.1216		1.7525	1.7525	2.8475	2.8475
H4	1.0912	2.2453	1.7525		1.7886	3.2859	2.6714
H5	1.0912	2.2453	1.7525	1.7886		2.6714	3.2859
H6	2.4016	1.1937	2.8475	3.2859	2.6714		2.0467
H7	2.4016	1.1937	2.8475	2.6714	3.2859	2.0467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.941	C1	B2	H7	120.941
B2	C1	H3	104.402	B2	C1	H4	114.696
B2	C1	H5	114.696	H3	C1	H4	106.016
H3	C1	H5	106.016	H4	C1	H5	110.080
H6	B2	H7	118.026

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)