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	hartrees
Energy at 0K	-64.667686
Energy at 298.15K	-64.671669
HF Energy	-64.667686
Nuclear repulsion energy	31.975624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3709	3028	2.00
2	A'	3549	2898	2.34
3	A'	3175	2592	16.04
4	A'	1837	1500	0.64
5	A'	1694	1383	22.60
6	A'	1542	1259	63.09
7	A'	1285	1049	133.39
8	A'	1119	914	11.64
9	A'	809	661	2.48
10	A"	3754	3065	0.60
11	A"	3319	2710	19.78
12	A"	1816	1483	1.75
13	A"	1293	1055	24.79
14	A"	838	684	1.28
15	A"	96	78	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.688	0.000
B2	-0.009	0.882	0.000
H3	1.030	-1.010	0.000
H4	-0.474	-1.113	0.882
H5	-0.474	-1.113	-0.882
H6	0.010	1.476	-0.999
H7	0.010	1.476	0.999

	C1	B2	H3	H4	H5	H6	H7
C1		1.5693	1.0888	1.0836	1.0836	2.3834	2.3834
B2	1.5693		2.1590	2.2296	2.2296	1.1626	1.1626
H3	1.0888	2.1590		1.7467	1.7467	2.8674	2.8674
H4	1.0836	2.2296	1.7467		1.7638	3.2365	2.6365
H5	1.0836	2.2296	1.7467	1.7638		2.6365	3.2365
H6	2.3834	1.1626	2.8674	3.2365	2.6365		1.9978
H7	2.3834	1.1626	2.8674	2.6365	3.2365	1.9978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.756	C1	B2	H7	120.756
B2	C1	H3	107.245	B2	C1	H4	113.102
B2	C1	H5	113.102	H3	C1	H4	107.033
H3	C1	H5	107.033	H4	C1	H5	108.957
H6	B2	H7	118.450

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/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	-0.303
2	B	0.259
3	H	0.067
4	H	0.060
5	H	0.060
6	H	-0.072
7	H	-0.072

	x	y	z	Total
	0.073	-0.310	0.000	0.318
CHELPG
AIM
ESP

	x	y	z
x	1.318	-0.012	0.000
y	-0.012	1.802	0.000
z	0.000	0.000	1.664

<r²>	28.403
(<r²>)^1/2	5.329

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)