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	hartrees
Energy at 0K	-139.908878
Energy at 298.15K	-139.911401
HF Energy	-139.287423
Nuclear repulsion energy	54.396966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3111	2977	0.29
2	A₁	2005	1919	136.78
3	A₁	1343	1285	13.53
4	A₁	832	796	0.02
5	E	3208	3070	0.00
5	E	3208	3070	0.00
6	E	1479	1415	5.68
6	E	1479	1415	5.68
7	E	918	879	22.54
7	E	918	879	22.54
8	E	353	338	11.04
8	E	353	338	11.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.292
B2	0.000	0.000	0.236
O3	0.000	0.000	1.447
H4	0.000	1.016	-1.669
H5	0.880	-0.508	-1.669
H6	-0.880	-0.508	-1.669

	C1	B2	O3	H4	H5	H6
C1		1.5281	2.7384	1.0837	1.0837	1.0837
B2	1.5281		1.2103	2.1593	2.1593	2.1593
O3	2.7384	1.2103		3.2772	3.2772	3.2772
H4	1.0837	2.1593	3.2772		1.7594	1.7594
H5	1.0837	2.1593	3.2772	1.7594		1.7594
H6	1.0837	2.1593	3.2772	1.7594	1.7594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.382
B2	C1	H5	110.382	B2	C1	H6	110.382
H4	C1	H5	108.545	H4	C1	H6	108.545
H5	C1	H6	108.545

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

using model chemistry: MP2=FULL/cc-pVQZ

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: MP2=FULL/cc-pVQZ

States and conformations

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