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	hartrees
Energy at 0K	-139.279419
Energy at 298.15K	-139.282072
HF Energy	-139.279419
Nuclear repulsion energy	54.676625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	2890	0.05
2	A₁	2161	1967	314.22
3	A₁	1455	1324	9.56
4	A₁	840	765	0.90
5	E	3247	2956	3.67
5	E	3247	2956	3.67
6	E	1571	1431	4.61
6	E	1571	1431	4.61
7	E	993	904	31.58
7	E	993	904	31.58
8	E	392	357	25.46
8	E	392	357	25.46

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	1.438
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		1.5422	2.7294	1.0827	1.0827	1.0827
B2	1.5422		1.1872	2.1696	2.1696	2.1696
O3	2.7294	1.1872		3.2663	3.2663	3.2663
H4	1.0827	2.1696	3.2663		1.7592	1.7592
H5	1.0827	2.1696	3.2663	1.7592		1.7592
H6	1.0827	2.1696	3.2663	1.7592	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.263
B2	C1	H5	110.263	B2	C1	H6	110.263
H4	C1	H5	108.668	H4	C1	H6	108.668
H5	C1	H6	108.668

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

using model chemistry: HF/aug-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	-0.782
2	B	0.170
3	O	-0.436
4	H	0.349
5	H	0.349
6	H	0.349

	x	y	z	Total
	0.000	0.000	-4.089	4.089
CHELPG
AIM
ESP

<r²>	49.973
(<r²>)^1/2	7.069

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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