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	hartrees
Energy at 0K	-65.953123
Energy at 298.15K	-65.957049
HF Energy	-65.953123
Nuclear repulsion energy	31.764112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	2962	14.55
2	A'	2984	2867	4.84
3	A'	2594	2492	104.24
4	A'	1493	1434	1.27
5	A'	1347	1294	62.41
6	A'	1263	1214	22.06
7	A'	1096	1053	71.93
8	A'	973	935	12.19
9	A'	569	547	0.57
10	A"	3133	3010	19.05
11	A"	2664	2560	151.37
12	A"	1449	1392	2.94
13	A"	1069	1027	19.53
14	A"	687	660	0.54
15	A"	152	146	1.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.684	0.000
B2	-0.018	0.874	0.000
H3	1.054	-0.958	0.000
H4	-0.443	-1.145	0.896
H5	-0.443	-1.145	-0.896
H6	0.015	1.491	-1.026
H7	0.015	1.491	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5583	1.1061	1.0941	1.0941	2.4049	2.4049
B2	1.5583		2.1230	2.2502	2.2502	1.1973	1.1973
H3	1.1061	2.1230		1.7545	1.7545	2.8516	2.8516
H4	1.0941	2.2502	1.7545		1.7927	3.2946	2.6789
H5	1.0941	2.2502	1.7545	1.7927		2.6789	3.2946
H6	2.4049	1.1973	2.8516	3.2946	2.6789		2.0515
H7	2.4049	1.1973	2.8516	2.6789	3.2946	2.0515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.999	C1	B2	H7	120.999
B2	C1	H3	104.366	B2	C1	H4	114.945
B2	C1	H5	114.945	H3	C1	H4	105.765
H3	C1	H5	105.765	H4	C1	H5	110.023
H6	B2	H7	117.906

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B3LYP/6-31G**

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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Number	Element	Mulliken
1	C	-0.430
2	B	0.191
3	H	0.123
4	H	0.115
5	H	0.115
6	H	-0.056
7	H	-0.056

	x	y	z	Total
	0.126	-0.701	0.000	0.712
CHELPG
AIM
ESP

	x	y	z
x	2.782	-0.016	0.000
y	-0.016	4.187	0.000
z	0.000	0.000	3.677

<r²>	29.169
(<r²>)^1/2	5.401

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)