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	hartrees
Energy at 0K	-65.420979
Energy at 298.15K	-65.424967
HF Energy	-65.420979
Nuclear repulsion energy	31.706946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	2916	39.38
2	A'	3145	2830	12.89
3	A'	2667	2400	153.18
4	A'	1624	1462	7.85
5	A'	1502	1351	78.44
6	A'	1306	1175	42.66
7	A'	1179	1061	71.79
8	A'	1006	905	12.08
9	A'	708	637	0.22
10	A"	3288	2959	50.65
11	A"	2742	2467	233.11
12	A"	1592	1432	9.17
13	A"	1163	1047	23.22
14	A"	740	666	0.11
15	A"	106	95	2.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.694	0.000
B2	-0.012	0.884	0.000
H3	1.036	-1.009	0.000
H4	-0.464	-1.126	0.885
H5	-0.464	-1.126	-0.885
H6	0.010	1.501	-1.021
H7	0.010	1.501	1.021

	C1	B2	H3	H4	H5	H6	H7
C1		1.5779	1.0944	1.0844	1.0844	2.4208	2.4208
B2	1.5779		2.1640	2.2430	2.2430	1.1930	1.1930
H3	1.0944	2.1640		1.7461	1.7461	2.8977	2.8977
H4	1.0844	2.2430	1.7461		1.7708	3.2807	2.6735
H5	1.0844	2.2430	1.7461	1.7708		2.6735	3.2807
H6	2.4208	1.1930	2.8977	3.2807	2.6735		2.0415
H7	2.4208	1.1930	2.8977	2.6735	3.2807	2.0415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.147	C1	B2	H7	121.147
B2	C1	H3	106.753	B2	C1	H4	113.517
B2	C1	H5	113.517	H3	C1	H4	106.535
H3	C1	H5	106.535	H4	C1	H5	109.467
H6	B2	H7	117.663

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/LANL2DZ

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	-0.676
2	B	0.070
3	H	0.184
4	H	0.186
5	H	0.186
6	H	0.025
7	H	0.025

	x	y	z	Total
	0.114	-0.456	0.000	0.470
CHELPG
AIM
ESP

	x	y	z
x	2.534	0.009	0.000
y	0.009	3.484	0.000
z	0.000	0.000	3.202

<r²>	29.609
(<r²>)^1/2	5.441

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)