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	hartrees
Energy at 0K	-139.667235
Energy at 298.15K	-139.669773
HF Energy	-139.240525
Nuclear repulsion energy	53.699657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	2963	0.00
2	A₁	1947	1868	134.01
3	A₁	1324	1269	8.90
4	A₁	817	783	0.02
5	E	3189	3058	0.53
5	E	3189	3058	0.53
6	E	1450	1390	4.87
6	E	1450	1390	4.87
7	E	912	874	19.47
7	E	912	874	19.47
8	E	363	348	10.88
8	E	363	348	10.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.307
B2	0.000	0.000	0.239
O3	0.000	0.000	1.465
H4	0.000	1.031	-1.690
H5	0.893	-0.515	-1.690
H6	-0.893	-0.515	-1.690

	C1	B2	O3	H4	H5	H6
C1		1.5457	2.7721	1.0996	1.0996	1.0996
B2	1.5457		1.2264	2.1870	2.1870	2.1870
O3	2.7721	1.2264		3.3195	3.3195	3.3195
H4	1.0996	2.1870	3.3195		1.7852	1.7852
H5	1.0996	2.1870	3.3195	1.7852		1.7852
H6	1.0996	2.1870	3.3195	1.7852	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.399
B2	C1	H5	110.399	B2	C1	H6	110.399
H4	C1	H5	108.527	H4	C1	H6	108.527
H5	C1	H6	108.527

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

using model chemistry: MP2/aug-cc-pVDZ

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: MP2/aug-cc-pVDZ

States and conformations

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