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	hartrees
Energy at 0K	-139.685003
Energy at 298.15K	-139.687575
HF Energy	-139.258153
Nuclear repulsion energy	54.237440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3070	2932	0.12
2	A₁	2081	1988	167.79
3	A₁	1384	1322	21.50
4	A₁	826	788	0.19
5	E	3156	3014	1.68
5	E	3156	3014	1.68
6	E	1500	1433	9.01
6	E	1500	1433	9.01
7	E	950	907	26.82
7	E	950	907	26.82
8	E	372	355	10.94
8	E	372	355	10.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.297
B2	0.000	0.000	0.246
O3	0.000	0.000	1.449
H4	0.000	1.025	-1.680
H5	0.887	-0.512	-1.680
H6	-0.887	-0.512	-1.680

	C1	B2	O3	H4	H5	H6
C1		1.5429	2.7456	1.0939	1.0939	1.0939
B2	1.5429		1.2027	2.1817	2.1817	2.1817
O3	2.7456	1.2027		3.2924	3.2924	3.2924
H4	1.0939	2.1817	3.2924		1.7746	1.7746
H5	1.0939	2.1817	3.2924	1.7746		1.7746
H6	1.0939	2.1817	3.2924	1.7746	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.510
B2	C1	H5	110.510	B2	C1	H6	110.510
H4	C1	H5	108.413	H4	C1	H6	108.413
H5	C1	H6	108.413

All results from a given calculation for CH₃BO (Borane, methyloxo-)

using model chemistry: CCD/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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All results from a given calculation for CH3BO (Borane, methyloxo-)

using model chemistry: CCD/6-311G*

States and conformations

All results from a given calculation for CH₃BO (Borane, methyloxo-)