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	hartrees
Energy at 0K	-65.925688
Energy at 298.15K	-65.929579
HF Energy	-65.925688
Nuclear repulsion energy	31.749229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3119	3119	14.13
2	A'	3013	3013	3.18
3	A'	2577	2577	108.91
4	A'	1502	1502	2.44
5	A'	1355	1355	68.45
6	A'	1263	1263	22.15
7	A'	1088	1088	76.08
8	A'	974	974	12.36
9	A'	576	576	0.35
10	A"	3172	3172	16.73
11	A"	2652	2652	157.03
12	A"	1454	1454	3.96
13	A"	1072	1072	20.67
14	A"	694	694	0.56
15	A"	126	126	2.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.685	0.000
B2	-0.017	0.875	0.000
H3	1.052	-0.960	0.000
H4	-0.445	-1.142	0.896
H5	-0.445	-1.142	-0.896
H6	0.014	1.491	-1.029
H7	0.014	1.491	1.029

	C1	B2	H3	H4	H5	H6	H7
C1		1.5604	1.1042	1.0931	1.0931	2.4076	2.4076
B2	1.5604		2.1238	2.2483	2.2483	1.1995	1.1995
H3	1.1042	2.1238		1.7546	1.7546	2.8535	2.8535
H4	1.0931	2.2483	1.7546		1.7923	3.2940	2.6763
H5	1.0931	2.2483	1.7546	1.7923		2.6763	3.2940
H6	2.4076	1.1995	2.8535	3.2940	2.6763		2.0575
H7	2.4076	1.1995	2.8535	2.6763	3.2940	2.0575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.904	C1	B2	H7	120.904
B2	C1	H3	104.392	B2	C1	H4	114.699
B2	C1	H5	114.699	H3	C1	H4	105.982
H3	C1	H5	105.982	H4	C1	H5	110.138
H6	B2	H7	118.100

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: wB97X-D/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	-0.517
2	B	0.202
3	H	0.142
4	H	0.137
5	H	0.137
6	H	-0.051
7	H	-0.051

	x	y	z	Total
	0.124	-0.659	0.000	0.670
CHELPG
AIM
ESP

	x	y	z
x	2.799	-0.012	0.000
y	-0.012	4.167	0.000
z	0.000	0.000	3.722

<r²>	29.171
(<r²>)^1/2	5.401

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: wB97X-D/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)