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	hartrees
Energy at 0K	-65.459785
Energy at 298.15K	-65.463793
HF Energy	-65.459785
Nuclear repulsion energy	31.774723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	2900	26.35
2	A'	3106	2822	9.40
3	A'	2640	2398	133.29
4	A'	1593	1447	2.82
5	A'	1449	1316	54.21
6	A'	1337	1215	43.26
7	A'	1157	1051	83.13
8	A'	990	900	12.49
9	A'	640	582	1.66
10	A"	3234	2938	33.58
11	A"	2698	2451	209.75
12	A"	1555	1412	3.96
13	A"	1142	1037	22.54
14	A"	726	659	2.36
15	A"	138	125	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.690	0.000
B2	-0.014	0.880	0.000
H3	1.042	-0.982	0.000
H4	-0.456	-1.132	0.888
H5	-0.456	-1.132	-0.888
H6	0.013	1.494	-1.023
H7	0.013	1.494	1.023

	C1	B2	H3	H4	H5	H6	H7
C1		1.5693	1.0959	1.0855	1.0855	2.4116	2.4116
B2	1.5693		2.1403	2.2427	2.2427	1.1937	1.1937
H3	1.0959	2.1403		1.7474	1.7474	2.8699	2.8699
H4	1.0855	2.2427	1.7474		1.7751	3.2812	2.6710
H5	1.0855	2.2427	1.7474	1.7751		2.6710	3.2812
H6	2.4116	1.1937	2.8699	3.2812	2.6710		2.0462
H7	2.4116	1.1937	2.8699	2.6710	3.2812	2.0462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.976	C1	B2	H7	120.976
B2	C1	H3	105.462	B2	C1	H4	114.051
B2	C1	H5	114.051	H3	C1	H4	106.458
H3	C1	H5	106.458	H4	C1	H5	109.695
H6	B2	H7	117.983

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/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	-0.406
2	B	0.204
3	H	0.096
4	H	0.100
5	H	0.100
6	H	-0.047
7	H	-0.047

	x	y	z	Total
	0.052	-0.457	0.000	0.460
CHELPG
AIM
ESP

	x	y	z
x	2.923	-0.009	0.000
y	-0.009	4.206	0.000
z	0.000	0.000	3.936

<r²>	29.541
(<r²>)^1/2	5.435

All results from a given calculation for CH3BH2 (methylborane)

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

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)