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	hartrees
Energy at 0K	-139.824006
Energy at 298.15K	-139.826544
HF Energy	-139.725706
Nuclear repulsion energy	53.767301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	3075	0.30
2	A₁	1938	1938	110.05
3	A₁	1434	1434	32.13
4	A₁	822	822	0.19
5	E	3159	3159	2.85
5	E	3159	3159	2.85
6	E	1525	1525	10.69
6	E	1525	1525	10.69
7	E	977	977	29.73
7	E	977	977	29.73
8	E	351	351	9.48
8	E	351	351	9.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.302
B2	0.000	0.000	0.233
O3	0.000	0.000	1.465
H4	0.000	1.023	-1.692
H5	0.886	-0.512	-1.692
H6	-0.886	-0.512	-1.692

	C1	B2	O3	H4	H5	H6
C1		1.5355	2.7672	1.0948	1.0948	1.0948
B2	1.5355		1.2318	2.1799	2.1799	2.1799
O3	2.7672	1.2318		3.3183	3.3183	3.3183
H4	1.0948	2.1799	3.3183		1.7723	1.7723
H5	1.0948	2.1799	3.3183	1.7723		1.7723
H6	1.0948	2.1799	3.3183	1.7723	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.834
B2	C1	H5	110.834	B2	C1	H6	110.834
H4	C1	H5	108.075	H4	C1	H6	108.075
H5	C1	H6	108.075

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3BO (Borane, methyloxo-)

using model chemistry: B2PLYP=FULL/6-31G

States and conformations

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