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	hartrees
Energy at 0K	-65.927737
Energy at 298.15K	-65.931626
HF Energy	-65.927737
Nuclear repulsion energy	31.739803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3112	2963	16.08
2	A'	3006	2862	3.35
3	A'	2569	2446	124.32
4	A'	1494	1423	4.76
5	A'	1348	1284	80.65
6	A'	1256	1196	22.35
7	A'	1084	1032	72.25
8	A'	971	925	12.68
9	A'	571	544	0.29
10	A"	3164	3013	17.28
11	A"	2640	2514	181.61
12	A"	1445	1376	6.51
13	A"	1068	1017	20.63
14	A"	692	659	1.06
15	A"	127	121	1.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.685	0.000
B2	-0.017	0.875	0.000
H3	1.053	-0.959	0.000
H4	-0.445	-1.143	0.897
H5	-0.445	-1.143	-0.897
H6	0.014	1.491	-1.030
H7	0.014	1.491	1.030

	C1	B2	H3	H4	H5	H6	H7
C1		1.5605	1.1049	1.0936	1.0936	2.4077	2.4077
B2	1.5605		2.1240	2.2491	2.2491	1.2000	1.2000
H3	1.1049	2.1240		1.7555	1.7555	2.8536	2.8536
H4	1.0936	2.2491	1.7555		1.7934	3.2949	2.6765
H5	1.0936	2.2491	1.7555	1.7934		2.6765	3.2949
H6	2.4077	1.2000	2.8536	3.2949	2.6765		2.0592
H7	2.4077	1.2000	2.8536	2.6765	3.2949	2.0592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.865	C1	B2	H7	120.865
B2	C1	H3	104.359	B2	C1	H4	114.718
B2	C1	H5	114.718	H3	C1	H4	105.966
H3	C1	H5	105.966	H4	C1	H5	110.157
H6	B2	H7	118.180

All results from a given calculation for CH₃BH₂ (methylborane)

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

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	-0.632
2	B	0.182
3	H	0.170
4	H	0.172
5	H	0.172
6	H	-0.032
7	H	-0.032

	x	y	z	Total
	0.114	-0.631	0.000	0.642
CHELPG
AIM
ESP

	x	y	z
x	3.029	-0.020	0.000
y	-0.020	4.608	0.000
z	0.000	0.000	4.068

<r²>	29.414
(<r²>)^1/2	5.423

All results from a given calculation for CH3BH2 (methylborane)

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

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)