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	hartrees
Energy at 0K	-65.452016
Energy at 298.15K	-65.456011
HF Energy	-65.452016
Nuclear repulsion energy	31.770064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	2901	22.81
2	A'	3116	2822	7.16
3	A'	2665	2413	119.63
4	A'	1595	1445	1.06
5	A'	1451	1313	45.42
6	A'	1346	1219	41.30
7	A'	1161	1051	83.06
8	A'	991	898	12.52
9	A'	637	577	1.41
10	A"	3247	2940	29.04
11	A"	2728	2471	179.93
12	A"	1558	1411	2.37
13	A"	1142	1034	21.63
14	A"	724	655	1.86
15	A"	133	121	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.690	0.000
B2	-0.014	0.880	0.000
H3	1.041	-0.983	0.000
H4	-0.456	-1.133	0.887
H5	-0.456	-1.133	-0.887
H6	0.013	1.494	-1.022
H7	0.013	1.494	1.022

	C1	B2	H3	H4	H5	H6	H7
C1		1.5707	1.0953	1.0853	1.0853	2.4122	2.4122
B2	1.5707		2.1415	2.2439	2.2439	1.1928	1.1928
H3	1.0953	2.1415		1.7467	1.7467	2.8706	2.8706
H4	1.0853	2.2439	1.7467		1.7740	3.2814	2.6722
H5	1.0853	2.2439	1.7467	1.7740		2.6722	3.2814
H6	2.4122	1.1928	2.8706	3.2814	2.6722		2.0446
H7	2.4122	1.1928	2.8706	2.6722	3.2814	2.0446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.982	C1	B2	H7	120.982
B2	C1	H3	105.498	B2	C1	H4	114.068
B2	C1	H5	114.068	H3	C1	H4	106.456
H3	C1	H5	106.456	H4	C1	H5	109.631
H6	B2	H7	117.970

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/6-31G(2df,p)

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	-0.496
2	B	0.131
3	H	0.146
4	H	0.142
5	H	0.142
6	H	-0.032
7	H	-0.032

	x	y	z	Total
	0.050	-0.501	0.000	0.504
CHELPG
AIM
ESP

	x	y	z
x	2.877	-0.000	0.000
y	-0.000	3.956	0.000
z	0.000	0.000	3.649

<r²>	29.366
(<r²>)^1/2	5.419

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)