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	hartrees
Energy at 0K	-138.723003
Energy at 298.15K	-138.725608
HF Energy	-138.457886
Nuclear repulsion energy	53.611598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	2889	0.07
2	A₁	2034	1901	99.04
3	A₁	1471	1374	38.69
4	A₁	829	774	0.02
5	E	3159	2952	2.22
5	E	3159	2952	2.22
6	E	1566	1463	9.79
6	E	1566	1463	9.79
7	E	1007	941	29.61
7	E	1007	941	29.61
8	E	374	350	8.64
8	E	374	350	8.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.309
B2	0.000	0.000	0.236
O3	0.000	0.000	1.470
H4	0.000	1.025	-1.695
H5	0.888	-0.512	-1.695
H6	-0.888	-0.512	-1.695

	C1	B2	O3	H4	H5	H6
C1		1.5448	2.7787	1.0952	1.0952	1.0952
B2	1.5448		1.2339	2.1862	2.1862	2.1862
O3	2.7787	1.2339		3.3268	3.3268	3.3268
H4	1.0952	2.1862	3.3268		1.7750	1.7750
H5	1.0952	2.1862	3.3268	1.7750		1.7750
H6	1.0952	2.1862	3.3268	1.7750	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.654
B2	C1	H5	110.654	B2	C1	H6	110.654
H4	C1	H5	108.263	H4	C1	H6	108.263
H5	C1	H6	108.263

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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