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	hartrees
Energy at 0K	-65.910199
Energy at 298.15K	-65.914055
HF Energy	-65.910199
Nuclear repulsion energy	31.846608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3102	3102	12.05
2	A'	3015	3015	2.76
3	A'	2632	2632	107.45
4	A'	1501	1501	5.73
5	A'	1359	1359	81.21
6	A'	1260	1260	21.61
7	A'	1091	1091	70.87
8	A'	979	979	12.39
9	A'	569	569	0.60
10	A"	3152	3152	13.35
11	A"	2700	2700	153.94
12	A"	1467	1467	6.78
13	A"	1070	1070	21.46
14	A"	682	682	0.85
15	A"	108	108	1.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.682	0.000
B2	-0.018	0.873	0.000
H3	1.051	-0.957	0.000
H4	-0.441	-1.142	0.894
H5	-0.441	-1.142	-0.894
H6	0.014	1.485	-1.024
H7	0.014	1.485	1.024

	C1	B2	H3	H4	H5	H6	H7
C1		1.5550	1.1034	1.0909	1.0909	2.3969	2.3969
B2	1.5550		2.1195	2.2450	2.2450	1.1935	1.1935
H3	1.1034	2.1195		1.7489	1.7489	2.8439	2.8439
H4	1.0909	2.2450	1.7489		1.7876	3.2846	2.6696
H5	1.0909	2.2450	1.7489	1.7876		2.6696	3.2846
H6	2.3969	1.1935	2.8439	3.2846	2.6696		2.0485
H7	2.3969	1.1935	2.8439	2.6696	3.2846	2.0485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.836	C1	B2	H7	120.836
B2	C1	H3	104.453	B2	C1	H4	114.964
B2	C1	H5	114.964	H3	C1	H4	105.692
H3	C1	H5	105.692	H4	C1	H5	110.030
H6	B2	H7	118.235

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: M06-2X/6-311G*

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	-0.885
2	B	0.056
3	H	0.234
4	H	0.236
5	H	0.236
6	H	0.061
7	H	0.061

	x	y	z	Total
	0.108	-0.555	0.000	0.566
CHELPG
AIM
ESP

	x	y	z
x	2.956	-0.030	0.000
y	-0.030	4.415	0.000
z	0.000	0.000	3.929

<r²>	29.337
(<r²>)^1/2	5.416

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)