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	hartrees
Energy at 0K	-65.514910
Energy at 298.15K	-65.518789
HF Energy	-65.514910
Nuclear repulsion energy	31.775448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3042	2980	8.65
2	A'	2926	2867	3.76
3	A'	2529	2478	91.68
4	A'	1454	1424	7.04
5	A'	1321	1294	99.46
6	A'	1216	1191	13.79
7	A'	1058	1036	58.90
8	A'	997	976	12.44
9	A'	567	555	3.03
10	A"	3102	3039	9.69
11	A"	2611	2558	133.95
12	A"	1409	1380	9.12
13	A"	1046	1025	24.46
14	A"	679	665	0.00
15	A"	134	132	5.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.677	0.000
B2	-0.019	0.863	0.000
H3	1.064	-0.952	0.000
H4	-0.443	-1.141	0.906
H5	-0.443	-1.141	-0.906
H6	0.015	1.489	-1.035
H7	0.015	1.489	1.035

	C1	B2	H3	H4	H5	H6	H7
C1		1.5399	1.1174	1.1031	1.1031	2.4003	2.4003
B2	1.5399		2.1134	2.2401	2.2401	1.2098	1.2098
H3	1.1174	2.1134		1.7691	1.7691	2.8510	2.8510
H4	1.1031	2.2401	1.7691		1.8120	3.3005	2.6726
H5	1.1031	2.2401	1.7691	1.8120		2.6726	3.3005
H6	2.4003	1.2098	2.8510	3.3005	2.6726		2.0698
H7	2.4003	1.2098	2.8510	2.6726	3.3005	2.0698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.140	C1	B2	H7	121.140
B2	C1	H3	104.244	B2	C1	H4	114.897
B2	C1	H5	114.897	H3	C1	H4	105.636
H3	C1	H5	105.636	H4	C1	H5	110.437
H6	B2	H7	117.621

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: LSDA/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	-0.656
2	B	0.116
3	H	0.195
4	H	0.183
5	H	0.183
6	H	-0.011
7	H	-0.011

	x	y	z	Total
	0.219	-0.929	0.000	0.955
CHELPG
AIM
ESP

	x	y	z
x	2.765	-0.027	0.000
y	-0.027	4.346	0.000
z	0.000	0.000	3.750

<r²>	29.080
(<r²>)^1/2	5.393

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)