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	hartrees
Energy at 0K	-65.927146
Energy at 298.15K	-65.931036
HF Energy	-65.927146
Nuclear repulsion energy	31.770485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3108	3108	13.00
2	A'	3001	3001	3.03
3	A'	2570	2570	105.61
4	A'	1489	1489	1.61
5	A'	1336	1336	62.26
6	A'	1257	1257	18.47
7	A'	1083	1083	68.48
8	A'	974	974	13.50
9	A'	564	564	0.54
10	A"	3160	3160	15.46
11	A"	2646	2646	142.73
12	A"	1439	1439	3.35
13	A"	1066	1066	18.91
14	A"	690	690	0.60
15	A"	130	130	1.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.684	0.000
B2	-0.018	0.874	0.000
H3	1.054	-0.951	0.000
H4	-0.441	-1.146	0.896
H5	-0.441	-1.146	-0.896
H6	0.014	1.489	-1.029
H7	0.014	1.489	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5586	1.1049	1.0928	1.0928	2.4048	2.4048
B2	1.5586		2.1165	2.2496	2.2496	1.1988	1.1988
H3	1.1049	2.1165		1.7539	1.7539	2.8445	2.8445
H4	1.0928	2.2496	1.7539		1.7921	3.2942	2.6767
H5	1.0928	2.2496	1.7539	1.7921		2.6767	3.2942
H6	2.4048	1.1988	2.8445	3.2942	2.6767		2.0575
H7	2.4048	1.1988	2.8445	2.6767	3.2942	2.0575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.849	C1	B2	H7	120.849
B2	C1	H3	103.932	B2	C1	H4	114.957
B2	C1	H5	114.957	H3	C1	H4	105.891
H3	C1	H5	105.891	H4	C1	H5	110.166
H6	B2	H7	118.209

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.463
2	B	0.056
3	H	0.157
4	H	0.144
5	H	0.144
6	H	-0.019
7	H	-0.019

	x	y	z	Total
	0.108	-0.684	0.000	0.692
CHELPG
AIM
ESP

	x	y	z
x	2.998	-0.013	0.000
y	-0.013	4.258	0.000
z	0.000	0.000	3.769

<r²>	29.106
(<r²>)^1/2	5.395

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)