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	hartrees
Energy at 0K	-11.045348
Energy at 298.15K	-11.049317
HF Energy	-11.045348
Nuclear repulsion energy	18.621940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	2911	41.58
2	A'	3099	2828	10.73
3	A'	2628	2398	147.93
4	A'	1615	1474	7.47
5	A'	1489	1359	65.30
6	A'	1302	1188	53.89
7	A'	1166	1064	82.16
8	A'	990	903	10.63
9	A'	690	630	1.01
10	A"	3237	2954	48.68
11	A"	2703	2467	251.66
12	A"	1589	1450	8.82
13	A"	1150	1049	28.76
14	A"	730	666	2.30
15	A"	94	86	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.695	0.000
B2	-0.011	0.885	0.000
H3	1.037	-1.014	0.000
H4	-0.467	-1.127	0.887
H5	-0.467	-1.127	-0.887
H6	0.011	1.506	-1.027
H7	0.011	1.506	1.027

	C1	B2	H3	H4	H5	H6	H7
C1		1.5795	1.0964	1.0867	1.0867	2.4288	2.4288
B2	1.5795		2.1695	2.2456	2.2456	1.2002	1.2002
H3	1.0964	2.1695		1.7499	1.7499	2.9090	2.9090
H4	1.0867	2.2456	1.7499		1.7730	3.2902	2.6805
H5	1.0867	2.2456	1.7499	1.7730		2.6805	3.2902
H6	2.4288	1.2002	2.9090	3.2902	2.6805		2.0530
H7	2.4288	1.2002	2.9090	2.6805	3.2902	2.0530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.191	C1	B2	H7	121.191
B2	C1	H3	106.955	B2	C1	H4	113.471
B2	C1	H5	113.471	H3	C1	H4	106.560
H3	C1	H5	106.560	H4	C1	H5	109.326
H6	B2	H7	117.576

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/CEP-121G

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	-0.579
2	B	0.230
3	H	0.155
4	H	0.150
5	H	0.150
6	H	-0.053
7	H	-0.053

	x	y	z	Total
	0.099	-0.490	0.000	0.499
CHELPG
AIM
ESP

	x	y	z
x	2.697	-0.006	0.000
y	-0.006	3.909	0.000
z	0.000	0.000	3.753

<r²>	27.195
(<r²>)^1/2	5.215

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)