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	hartrees
Energy at 0K	-139.282799
Energy at 298.15K	-139.285265
HF Energy	-139.282799
Nuclear repulsion energy	54.228660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3003	2958	1.19
2	A₁	2009	1979	198.34
3	A₁	1276	1257	33.33
4	A₁	830	818	0.14
5	E	3097	3051	0.71
5	E	3097	3051	0.71
6	E	1389	1368	11.70
6	E	1389	1368	11.69
7	E	869	856	32.00
7	E	869	856	32.00
8	E	347	342	7.18
8	E	347	342	7.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.286
B2	0.000	0.000	0.233
O3	0.000	0.000	1.447
H4	0.000	1.031	-1.675
H5	0.893	-0.516	-1.675
H6	-0.893	-0.516	-1.675

	C1	B2	O3	H4	H5	H6
C1		1.5192	2.7334	1.1020	1.1020	1.1020
B2	1.5192		1.2142	2.1691	2.1691	2.1691
O3	2.7334	1.2142		3.2884	3.2884	3.2884
H4	1.1020	2.1691	3.2884		1.7859	1.7859
H5	1.1020	2.1691	3.2884	1.7859		1.7859
H6	1.1020	2.1691	3.2884	1.7859	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.674
B2	C1	H5	110.674	B2	C1	H6	110.674
H4	C1	H5	108.242	H4	C1	H6	108.242
H5	C1	H6	108.242

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

using model chemistry: LSDA/6-31+G**

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	-0.743
2	B	0.590
3	O	-0.532
4	H	0.228
5	H	0.228
6	H	0.228

	x	y	z	Total
	0.000	0.000	-3.764	3.764
CHELPG
AIM
ESP

<r²>	50.143
(<r²>)^1/2	7.081

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

using model chemistry: LSDA/6-31+G**

States and conformations

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