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	hartrees
Energy at 0K	-139.788004
Energy at 298.15K	-139.790561
HF Energy	-139.278119
Nuclear repulsion energy	54.391455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	2926	0.15
2	A₁	2098	1982	218.37
3	A₁	1353	1278	12.49
4	A₁	831	785	0.06
5	E	3183	3007	0.43
5	E	3183	3007	0.43
6	E	1481	1399	4.87
6	E	1481	1399	4.87
7	E	928	876	24.35
7	E	928	876	24.35
8	E	365	345	14.13
8	E	365	345	14.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.295
B2	0.000	0.000	0.244
O3	0.000	0.000	1.445
H4	0.000	1.020	-1.672
H5	0.883	-0.510	-1.672
H6	-0.883	-0.510	-1.672

	C1	B2	O3	H4	H5	H6
C1		1.5389	2.7401	1.0876	1.0876	1.0876
B2	1.5389		1.2012	2.1710	2.1710	2.1710
O3	2.7401	1.2012		3.2804	3.2804	3.2804
H4	1.0876	2.1710	3.2804		1.7665	1.7665
H5	1.0876	2.1710	3.2804	1.7665		1.7665
H6	1.0876	2.1710	3.2804	1.7665	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.319
B2	C1	H5	110.319	B2	C1	H6	110.319
H4	C1	H5	108.610	H4	C1	H6	108.610
H5	C1	H6	108.610

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

using model chemistry: MP3/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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All results from a given calculation for CH3BO (Borane, methyloxo-)

using model chemistry: MP3/cc-pVTZ

States and conformations

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