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	hartrees
Energy at 0K	-65.441547
Energy at 298.15K	-65.445515
HF Energy	-65.441547
Nuclear repulsion energy	31.733817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	2904	25.11
2	A'	3148	2829	8.97
3	A'	2702	2428	125.39
4	A'	1622	1458	1.71
5	A'	1487	1336	48.31
6	A'	1355	1218	53.60
7	A'	1169	1050	97.04
8	A'	994	893	11.13
9	A'	657	590	1.56
10	A"	3272	2940	32.21
11	A"	2764	2483	204.68
12	A"	1591	1430	3.19
13	A"	1153	1036	23.81
14	A"	729	655	2.20
15	A"	113	102	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-0.691	0.000
B2	-0.013	0.883	0.000
H3	1.037	-1.000	0.000
H4	-0.461	-1.131	0.885
H5	-0.461	-1.131	-0.885
H6	0.013	1.498	-1.022
H7	0.013	1.498	1.022

	C1	B2	H3	H4	H5	H6	H7
C1		1.5742	1.0944	1.0855	1.0855	2.4162	2.4162
B2	1.5742		2.1559	2.2451	2.2451	1.1929	1.1929
H3	1.0944	2.1559		1.7452	1.7452	2.8869	2.8869
H4	1.0855	2.2451	1.7452		1.7709	3.2823	2.6749
H5	1.0855	2.2451	1.7452	1.7709		2.6749	3.2823
H6	2.4162	1.1929	2.8869	3.2823	2.6749		2.0432
H7	2.4162	1.1929	2.8869	2.6749	3.2823	2.0432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.051	C1	B2	H7	121.051
B2	C1	H3	106.389	B2	C1	H4	113.890
B2	C1	H5	113.890	H3	C1	H4	106.379
H3	C1	H5	106.379	H4	C1	H5	109.316
H6	B2	H7	117.838

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: HF/6-31G*

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	-0.685
2	B	0.273
3	H	0.173
4	H	0.174
5	H	0.174
6	H	-0.054
7	H	-0.054

	x	y	z	Total
	0.062	-0.451	0.000	0.455
CHELPG
AIM
ESP

	x	y	z
x	2.611	-0.003	0.000
y	-0.003	3.805	0.000
z	0.000	0.000	3.585

<r²>	29.516
(<r²>)^1/2	5.433

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)