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	hartrees
Energy at 0K	-65.471001
Energy at 298.15K	-65.475005
HF Energy	-65.471001
Nuclear repulsion energy	31.837522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	2894	23.43
2	A'	3099	2815	9.20
3	A'	2647	2404	132.03
4	A'	1591	1446	2.02
5	A'	1446	1314	49.60
6	A'	1342	1220	40.92
7	A'	1158	1052	74.90
8	A'	990	899	12.81
9	A'	639	580	1.60
10	A"	3227	2932	31.69
11	A"	2702	2455	202.39
12	A"	1552	1410	3.39
13	A"	1143	1039	21.80
14	A"	727	660	2.28
15	A"	136	123	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.689	0.000
B2	-0.014	0.878	0.000
H3	1.040	-0.980	0.000
H4	-0.454	-1.130	0.885
H5	-0.454	-1.130	-0.885
H6	0.012	1.492	-1.021
H7	0.012	1.492	1.021

	C1	B2	H3	H4	H5	H6	H7
C1		1.5666	1.0935	1.0829	1.0829	2.4076	2.4076
B2	1.5666		2.1361	2.2384	2.2384	1.1916	1.1916
H3	1.0935	2.1361		1.7432	1.7432	2.8649	2.8649
H4	1.0829	2.2384	1.7432		1.7707	3.2750	2.6664
H5	1.0829	2.2384	1.7432	1.7707		2.6664	3.2750
H6	2.4076	1.1916	2.8649	3.2750	2.6664		2.0422
H7	2.4076	1.1916	2.8649	2.6664	3.2750	2.0422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.995	C1	B2	H7	120.995
B2	C1	H3	105.458	B2	C1	H4	114.067
B2	C1	H5	114.067	H3	C1	H4	106.448
H3	C1	H5	106.448	H4	C1	H5	109.684
H6	B2	H7	117.946

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/cc-pVQZ

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	-0.361
2	B	0.298
3	H	0.067
4	H	0.081
5	H	0.081
6	H	-0.083
7	H	-0.083

	x	y	z	Total
	0.040	-0.498	0.000	0.500
CHELPG
AIM
ESP

	x	y	z
x	3.461	-0.010	0.000
y	-0.010	4.494	0.000
z	0.000	0.000	4.079

<r²>	29.433
(<r²>)^1/2	5.425

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/cc-pVQZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)