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	hartrees
Energy at 0K	-65.141648
Energy at 298.15K	-65.145536
HF Energy	-65.141648
Nuclear repulsion energy	31.890488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3501	3501	3.64
2	A'	3354	3354	10.33
3	A'	3043	3043	12.47
4	A'	1697	1697	1.12
5	A'	1552	1552	39.09
6	A'	1437	1437	40.83
7	A'	1203	1203	109.29
8	A'	1072	1072	14.39
9	A'	723	723	0.34
10	A"	3562	3562	0.00
11	A"	3184	3184	14.31
12	A"	1675	1675	3.39
13	A"	1201	1201	23.52
14	A"	781	781	0.24
15	A"	100	100	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.684	0.000
B2	-0.012	0.879	0.000
H3	1.045	-0.994	0.000
H4	-0.467	-1.122	0.893
H5	-0.467	-1.122	-0.893
H6	0.011	1.475	-1.006
H7	0.011	1.475	1.006

	C1	B2	H3	H4	H5	H6	H7
C1		1.5625	1.1017	1.0936	1.0936	2.3819	2.3819
B2	1.5625		2.1500	2.2376	2.2376	1.1698	1.1698
H3	1.1017	2.1500		1.7606	1.7606	2.8592	2.8592
H4	1.0936	2.2376	1.7606		1.7857	3.2526	2.6431
H5	1.0936	2.2376	1.7606	1.7857		2.6431	3.2526
H6	2.3819	1.1698	2.8592	3.2526	2.6431		2.0121
H7	2.3819	1.1698	2.8592	2.6431	3.2526	2.0121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.653	C1	B2	H7	120.653
B2	C1	H3	106.316	B2	C1	H4	113.625
B2	C1	H5	113.625	H3	C1	H4	106.639
H3	C1	H5	106.639	H4	C1	H5	109.466
H6	B2	H7	118.643

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: M06-2X/STO-3G

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	-0.328
2	B	0.203
3	H	0.083
4	H	0.073
5	H	0.073
6	H	-0.052
7	H	-0.052

	x	y	z	Total
	0.114	-0.437	0.000	0.452
CHELPG
AIM
ESP

	x	y	z
x	1.361	-0.034	0.000
y	-0.034	1.930	0.000
z	0.000	0.000	1.675

<r²>	28.302
(<r²>)^1/2	5.320

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)