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	hartrees
Energy at 0K	-65.868912
Energy at 298.15K
HF Energy	-65.778089
Nuclear repulsion energy	31.849384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	3118	11.17
2	A'	3015	3015	3.73
3	A'	2624	2624	98.63
4	A'	1500	1500	1.10
5	A'	1345	1345	60.40
6	A'	1273	1273	19.08
7	A'	1104	1104	68.12
8	A'	982	982	13.02
9	A'	559	559	0.81
10	A"	3170	3170	14.22
11	A"	2697	2697	135.23
12	A"	1457	1457	2.82
13	A"	1076	1076	18.60
14	A"	688	688	0.63
15	A"	165	165	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.683	0.000
B2	-0.019	0.873	0.000
H3	1.052	-0.947	0.000
H4	-0.439	-1.145	0.894
H5	-0.439	-1.145	-0.894
H6	0.015	1.486	-1.023
H7	0.015	1.486	1.023

	C1	B2	H3	H4	H5	H6	H7
C1		1.5557	1.1031	1.0903	1.0903	2.3980	2.3980
B2	1.5557		2.1117	2.2467	2.2467	1.1932	1.1932
H3	1.1031	2.1117		1.7495	1.7495	2.8357	2.8357
H4	1.0903	2.2467	1.7495		1.7872	3.2866	2.6730
H5	1.0903	2.2467	1.7495	1.7872		2.6730	3.2866
H6	2.3980	1.1932	2.8357	3.2866	2.6730		2.0464
H7	2.3980	1.1932	2.8357	2.6730	3.2866	2.0464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.906	C1	B2	H7	120.906
B2	C1	H3	103.864	B2	C1	H4	115.095
B2	C1	H5	115.095	H3	C1	H4	105.807
H3	C1	H5	105.807	H4	C1	H5	110.084
H6	B2	H7	118.084

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH3BH2 (methylborane)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)