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	hartrees
Energy at 0K	-65.908804
Energy at 298.15K	-65.912710
HF Energy	-65.908804
Nuclear repulsion energy	31.678583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2980	2968	16.74
2	A'	2881	2870	6.76
3	A'	2513	2503	112.04
4	A'	1446	1440	2.48
5	A'	1297	1292	66.47
6	A'	1221	1216	23.02
7	A'	1067	1063	61.00
8	A'	951	947	12.96
9	A'	553	551	0.58
10	A"	3027	3015	22.83
11	A"	2577	2567	154.86
12	A"	1398	1392	4.28
13	A"	1041	1037	18.46
14	A"	676	674	0.95
15	A"	157	156	2.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.684	0.000
B2	-0.019	0.876	0.000
H3	1.061	-0.955	0.000
H4	-0.439	-1.153	0.901
H5	-0.439	-1.153	-0.901
H6	0.013	1.493	-1.029
H7	0.013	1.493	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5594	1.1134	1.0995	1.0995	2.4074	2.4074
B2	1.5594		2.1255	2.2593	2.2593	1.2000	1.2000
H3	1.1134	2.1255		1.7607	1.7607	2.8543	2.8543
H4	1.0995	2.2593	1.7607		1.8030	3.3059	2.6869
H5	1.0995	2.2593	1.7607	1.8030		2.6869	3.3059
H6	2.4074	1.2000	2.8543	3.3059	2.6869		2.0575
H7	2.4074	1.2000	2.8543	2.6869	3.3059	2.0575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.937	C1	B2	H7	120.937
B2	C1	H3	104.105	B2	C1	H4	115.266
B2	C1	H5	115.266	H3	C1	H4	105.429
H3	C1	H5	105.429	H4	C1	H5	110.148
H6	B2	H7	118.033

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: BLYP/6-311G**

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	-0.398
2	B	0.126
3	H	0.113
4	H	0.112
5	H	0.112
6	H	-0.033
7	H	-0.033

	x	y	z	Total
	0.121	-0.711	0.000	0.721
CHELPG
AIM
ESP

	x	y	z
x	3.161	-0.037	0.000
y	-0.037	4.870	0.000
z	0.000	0.000	4.227

<r²>	29.627
(<r²>)^1/2	5.443

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)