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	hartrees
Energy at 0K	-65.416520
Energy at 298.15K	-65.420495
HF Energy	-65.416520
Nuclear repulsion energy	31.772274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	2907	24.79
2	A'	3133	2829	7.30
3	A'	2678	2418	128.20
4	A'	1632	1474	5.19
5	A'	1512	1365	60.06
6	A'	1355	1224	57.48
7	A'	1179	1065	105.84
8	A'	1005	908	12.38
9	A'	709	640	1.19
10	A"	3261	2945	30.71
11	A"	2741	2475	219.07
12	A"	1603	1447	6.62
13	A"	1174	1060	28.64
14	A"	751	678	1.61
15	A"	91	82	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.690	0.000
B2	-0.011	0.881	0.000
H3	1.034	-1.014	0.000
H4	-0.467	-1.123	0.884
H5	-0.467	-1.123	-0.884
H6	0.011	1.497	-1.019
H7	0.011	1.497	1.019

	C1	B2	H3	H4	H5	H6	H7
C1		1.5714	1.0942	1.0848	1.0848	2.4127	2.4127
B2	1.5714		2.1646	2.2379	2.2379	1.1908	1.1908
H3	1.0942	2.1646		1.7450	1.7450	2.8964	2.8964
H4	1.0848	2.2379	1.7450		1.7679	3.2735	2.6669
H5	1.0848	2.2379	1.7450	1.7679		2.6669	3.2735
H6	2.4127	1.1908	2.8964	3.2735	2.6669		2.0385
H7	2.4127	1.1908	2.8964	2.6669	3.2735	2.0385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	121.115	C1	B2	H7	121.115
B2	C1	H3	107.236	B2	C1	H4	113.551
B2	C1	H5	113.551	H3	C1	H4	106.420
H3	C1	H5	106.420	H4	C1	H5	109.147
H6	B2	H7	117.723

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	-0.738
2	B	0.420
3	H	0.170
4	H	0.166
5	H	0.166
6	H	-0.092
7	H	-0.092

	x	y	z	Total
	0.090	-0.467	0.000	0.476
CHELPG
AIM
ESP

	x	y	z
x	2.543	-0.008	0.000
y	-0.008	3.791	0.000
z	0.000	0.000	3.603

<r²>	29.543
(<r²>)^1/2	5.435

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)