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	hartrees
Energy at 0K	-139.104768
Energy at 298.15K	-139.107356
HF Energy	-139.006310
Nuclear repulsion energy	53.599452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	3075	0.02
2	A₁	1973	1973	68.50
3	A₁	1441	1441	40.98
4	A₁	823	823	0.07
5	E	3143	3143	1.17
5	E	3143	3143	1.17
6	E	1547	1547	10.48
6	E	1547	1547	10.48
7	E	983	983	29.49
7	E	983	983	29.49
8	E	372	372	4.80
8	E	372	372	4.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.306
B2	0.000	0.000	0.230
O3	0.000	0.000	1.471
H4	0.000	1.024	-1.693
H5	0.887	-0.512	-1.693
H6	-0.887	-0.512	-1.693

	C1	B2	O3	H4	H5	H6
C1		1.5365	2.7770	1.0948	1.0948	1.0948
B2	1.5365		1.2405	2.1793	2.1793	2.1793
O3	2.7770	1.2405		3.3258	3.3258	3.3258
H4	1.0948	2.1793	3.3258		1.7736	1.7736
H5	1.0948	2.1793	3.3258	1.7736		1.7736
H6	1.0948	2.1793	3.3258	1.7736	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.717
B2	C1	H5	110.717	B2	C1	H6	110.717
H4	C1	H5	108.197	H4	C1	H6	108.197
H5	C1	H6	108.197

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

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