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	hartrees
Energy at 0K	-139.983914
Energy at 298.15K
HF Energy	-139.824803
Nuclear repulsion energy	54.250097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	3077	0.01
2	A₁	2005	2005	164.80
3	A₁	1361	1361	16.03
4	A₁	823	823	0.01
5	E	3156	3156	0.83
5	E	3156	3156	0.83
6	E	1477	1477	7.46
6	E	1477	1477	7.46
7	E	930	930	23.70
7	E	930	930	23.70
8	E	365	365	12.50
8	E	365	365	12.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.294
B2	0.000	0.000	0.239
O3	0.000	0.000	1.450
H4	0.000	1.020	-1.676
H5	0.884	-0.510	-1.676
H6	-0.884	-0.510	-1.676

	C1	B2	O3	H4	H5	H6
C1		1.5333	2.7444	1.0892	1.0892	1.0892
B2	1.5333		1.2112	2.1695	2.1695	2.1695
O3	2.7444	1.2112		3.2881	3.2881	3.2881
H4	1.0892	2.1695	3.2881		1.7672	1.7672
H5	1.0892	2.1695	3.2881	1.7672		1.7672
H6	1.0892	2.1695	3.2881	1.7672	1.7672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.496
B2	C1	H5	110.496	B2	C1	H6	110.496
H4	C1	H5	108.427	H4	C1	H6	108.427
H5	C1	H6	108.427

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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=FULLultrafine/TZVP

States and conformations

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