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	hartrees
Energy at 0K	-139.278551
Energy at 298.15K	-139.281208
HF Energy	-139.278551
Nuclear repulsion energy	54.686865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	2889	0.07
2	A₁	2167	1972	298.82
3	A₁	1456	1325	10.72
4	A₁	842	766	0.68
5	E	3247	2955	3.82
5	E	3247	2955	3.82
6	E	1572	1431	4.55
6	E	1572	1431	4.55
7	E	994	905	31.76
7	E	994	905	31.76
8	E	394	359	24.33
8	E	394	359	24.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.292
B2	0.000	0.000	0.250
O3	0.000	0.000	1.437
H4	0.000	1.016	-1.667
H5	0.880	-0.508	-1.667
H6	-0.880	-0.508	-1.667

	C1	B2	O3	H4	H5	H6
C1		1.5420	2.7288	1.0827	1.0827	1.0827
B2	1.5420		1.1868	2.1695	2.1695	2.1695
O3	2.7288	1.1868		3.2658	3.2658	3.2658
H4	1.0827	2.1695	3.2658		1.7592	1.7592
H5	1.0827	2.1695	3.2658	1.7592		1.7592
H6	1.0827	2.1695	3.2658	1.7592	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.266
B2	C1	H5	110.266	B2	C1	H6	110.266
H4	C1	H5	108.664	H4	C1	H6	108.664
H5	C1	H6	108.664

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

using model chemistry: HF/cc-pVTZ

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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Number	Element	Mulliken
1	C	-0.306
2	B	0.186
3	O	-0.274
4	H	0.131
5	H	0.131
6	H	0.131

	x	y	z	Total
	0.000	0.000	-4.021	4.021
CHELPG
AIM
ESP

<r²>	49.915
(<r²>)^1/2	7.065

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

using model chemistry: HF/cc-pVTZ

States and conformations

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