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	hartrees
Energy at 0K	-65.825787
Energy at 298.15K	-65.829665
HF Energy	-65.825787
Nuclear repulsion energy	31.646203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3031	2990	11.64
2	A'	2925	2885	3.70
3	A'	2532	2498	100.89
4	A'	1442	1422	1.63
5	A'	1292	1275	70.59
6	A'	1213	1197	12.61
7	A'	1056	1042	62.21
8	A'	965	951	11.32
9	A'	524	517	1.39
10	A"	3086	3044	13.77
11	A"	2606	2570	139.57
12	A"	1394	1374	3.42
13	A"	1031	1017	18.89
14	A"	664	655	0.18
15	A"	164	162	2.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	-0.684	0.000
B2	-0.021	0.874	0.000
H3	1.064	-0.941	0.000
H4	-0.434	-1.157	0.904
H5	-0.434	-1.157	-0.904
H6	0.016	1.495	-1.035
H7	0.016	1.495	1.035

	C1	B2	H3	H4	H5	H6	H7
C1		1.5575	1.1144	1.1012	1.1012	2.4127	2.4127
B2	1.5575		2.1142	2.2611	2.2611	1.2077	1.2077
H3	1.1144	2.1142		1.7630	1.7630	2.8473	2.8473
H4	1.1012	2.2611	1.7630		1.8083	3.3162	2.6936
H5	1.1012	2.2611	1.7630	1.8083		2.6936	3.3162
H6	2.4127	1.2077	2.8473	3.3162	2.6936		2.0694
H7	2.4127	1.2077	2.8473	2.6936	3.3162	2.0694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.986	C1	B2	H7	120.986
B2	C1	H3	103.359	B2	C1	H4	115.451
B2	C1	H5	115.451	H3	C1	H4	105.443
H3	C1	H5	105.443	H4	C1	H5	110.381
H6	B2	H7	117.911

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: PBEPBEultrafine/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	-0.474
2	B	0.129
3	H	0.144
4	H	0.134
5	H	0.134
6	H	-0.033
7	H	-0.033

	x	y	z	Total
	0.163	-0.818	0.000	0.834
CHELPG
AIM
ESP

	x	y	z
x	2.854	-0.022	0.000
y	-0.022	4.410	0.000
z	0.000	0.000	3.773

<r²>	29.259
(<r²>)^1/2	5.409

All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)