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	hartrees
Energy at 0K	-11.423248
Energy at 298.15K	-11.427146
HF Energy	-11.423248
Nuclear repulsion energy	18.495883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3079	2973	26.25
2	A'	2984	2882	11.02
3	A'	2558	2470	125.98
4	A'	1485	1434	5.78
5	A'	1352	1306	91.94
6	A'	1226	1184	28.09
7	A'	1086	1048	46.51
8	A'	956	923	11.37
9	A'	570	551	1.34
10	A"	3130	3023	35.94
11	A"	2617	2527	201.13
12	A"	1451	1401	7.91
13	A"	1047	1011	20.22
14	A"	672	649	0.15
15	A"	151	146	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.693	0.000
B2	-0.017	0.884	0.000
H3	1.062	-0.972	0.000
H4	-0.450	-1.152	0.905
H5	-0.450	-1.152	-0.905
H6	0.013	1.507	-1.034
H7	0.013	1.507	1.034

	C1	B2	H3	H4	H5	H6	H7
C1		1.5772	1.1147	1.1029	1.1029	2.4311	2.4311
B2	1.5772		2.1474	2.2694	2.2694	1.2075	1.2075
H3	1.1147	2.1474		1.7710	1.7710	2.8840	2.8840
H4	1.1029	2.2694	1.7710		1.8100	3.3228	2.7015
H5	1.1029	2.2694	1.7710	1.8100		2.7015	3.3228
H6	2.4311	1.2075	2.8840	3.3228	2.7015		2.0680
H7	2.4311	1.2075	2.8840	2.7015	3.3228	2.0680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.052	C1	B2	H7	121.052
B2	C1	H3	104.511	B2	C1	H4	114.565
B2	C1	H5	114.565	H3	C1	H4	105.995
H3	C1	H5	105.995	H4	C1	H5	110.284
H6	B2	H7	117.817

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B3LYP/CEP-31G*

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	-0.282
2	B	-0.477
3	H	0.155
4	H	0.175
5	H	0.175
6	H	0.127
7	H	0.127

	x	y	z	Total
	0.129	-0.637	0.000	0.649
CHELPG
AIM
ESP

	x	y	z
x	2.804	-0.008	0.000
y	-0.008	3.928	0.000
z	0.000	0.000	3.103

<r²>	26.989
(<r²>)^1/2	5.195

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)