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	hartrees
Energy at 0K	-65.903191
Energy at 298.15K	-65.907061
HF Energy	-65.903191
Nuclear repulsion energy	31.789573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3111	2962	12.72
2	A'	3018	2874	2.64
3	A'	2642	2515	114.18
4	A'	1485	1414	4.72
5	A'	1346	1281	84.92
6	A'	1261	1200	19.05
7	A'	1093	1040	69.50
8	A'	979	933	11.95
9	A'	565	538	0.66
10	A"	3161	3010	13.04
11	A"	2710	2581	171.42
12	A"	1446	1377	6.08
13	A"	1062	1011	20.26
14	A"	678	645	1.47
15	A"	121	116	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.685	0.000
B2	-0.018	0.875	0.000
H3	1.053	-0.955	0.000
H4	-0.443	-1.142	0.896
H5	-0.443	-1.142	-0.896
H6	0.013	1.487	-1.026
H7	0.013	1.487	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5591	1.1045	1.0926	1.0926	2.4018	2.4018
B2	1.5591		2.1202	2.2477	2.2477	1.1950	1.1950
H3	1.1045	2.1202		1.7541	1.7541	2.8458	2.8458
H4	1.0926	2.2477	1.7541		1.7925	3.2887	2.6718
H5	1.0926	2.2477	1.7541	1.7925		2.6718	3.2887
H6	2.4018	1.1950	2.8458	3.2887	2.6718		2.0512
H7	2.4018	1.1950	2.8458	2.6718	3.2887	2.0512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.835	C1	B2	H7	120.835
B2	C1	H3	104.192	B2	C1	H4	114.767
B2	C1	H5	114.767	H3	C1	H4	105.951
H3	C1	H5	105.951	H4	C1	H5	110.225
H6	B2	H7	118.243

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: M06-2X/6-31+G**

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	-0.652
2	B	0.201
3	H	0.170
4	H	0.172
5	H	0.172
6	H	-0.032
7	H	-0.032

	x	y	z	Total
	0.111	-0.590	0.000	0.600
CHELPG
AIM
ESP

	x	y	z
x	3.017	-0.024	0.000
y	-0.024	4.563	0.000
z	0.000	0.000	4.026

<r²>	29.412
(<r²>)^1/2	5.423

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)