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	hartrees
Energy at 0K	-65.956297
Energy at 298.15K	-65.960217
HF Energy	-65.956297
Nuclear repulsion energy	31.746645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3074	2964	16.37
2	A'	2974	2867	4.70
3	A'	2584	2492	120.89
4	A'	1483	1430	3.81
5	A'	1337	1290	77.30
6	A'	1254	1209	22.68
7	A'	1091	1052	68.63
8	A'	968	933	12.65
9	A'	564	544	0.40
10	A"	3123	3011	19.22
11	A"	2650	2555	177.63
12	A"	1438	1387	5.99
13	A"	1063	1025	19.80
14	A"	685	660	1.10
15	A"	152	147	1.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.684	0.000
B2	-0.018	0.875	0.000
H3	1.055	-0.958	0.000
H4	-0.443	-1.146	0.897
H5	-0.443	-1.146	-0.897
H6	0.014	1.491	-1.027
H7	0.014	1.491	1.027

	C1	B2	H3	H4	H5	H6	H7
C1		1.5591	1.1070	1.0948	1.0948	2.4056	2.4056
B2	1.5591		2.1237	2.2513	2.2513	1.1980	1.1980
H3	1.1070	2.1237		1.7559	1.7559	2.8522	2.8522
H4	1.0948	2.2513	1.7559		1.7944	3.2960	2.6792
H5	1.0948	2.2513	1.7559	1.7944		2.6792	3.2960
H6	2.4056	1.1980	2.8522	3.2960	2.6792		2.0537
H7	2.4056	1.1980	2.8522	2.6792	3.2960	2.0537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.954	C1	B2	H7	120.954
B2	C1	H3	104.323	B2	C1	H4	114.933
B2	C1	H5	114.933	H3	C1	H4	105.777
H3	C1	H5	105.777	H4	C1	H5	110.066
H6	B2	H7	117.999

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.605
2	B	0.189
3	H	0.159
4	H	0.160
5	H	0.160
6	H	-0.032
7	H	-0.032

	x	y	z	Total
	0.114	-0.662	0.000	0.671
CHELPG
AIM
ESP

	x	y	z
x	3.053	-0.029	0.000
y	-0.029	4.717	0.000
z	0.000	0.000	4.072

<r²>	29.503
(<r²>)^1/2	5.432

All results from a given calculation for CH3BH2 (methylborane)

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

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)