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	hartrees
Energy at 0K	-139.656622
Energy at 298.15K	-139.659171
HF Energy	-139.234286
Nuclear repulsion energy	54.111316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	2948	0.28
2	A₁	2062	1943	196.60
3	A₁	1397	1316	12.19
4	A₁	827	779	0.28
5	E	3222	3036	1.73
5	E	3222	3036	1.73
6	E	1509	1421	6.55
6	E	1509	1421	6.55
7	E	952	897	22.20
7	E	952	897	22.20
8	E	360	339	15.82
8	E	360	339	15.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.301
B2	0.000	0.000	0.242
O3	0.000	0.000	1.454
H4	0.000	1.022	-1.679
H5	0.885	-0.511	-1.679
H6	-0.885	-0.511	-1.679

	C1	B2	O3	H4	H5	H6
C1		1.5431	2.7554	1.0891	1.0891	1.0891
B2	1.5431		1.2123	2.1757	2.1757	2.1757
O3	2.7554	1.2123		3.2956	3.2956	3.2956
H4	1.0891	2.1757	3.2956		1.7693	1.7693
H5	1.0891	2.1757	3.2956	1.7693		1.7693
H6	1.0891	2.1757	3.2956	1.7693	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.298
B2	C1	H5	110.298	B2	C1	H6	110.298
H4	C1	H5	108.632	H4	C1	H6	108.632
H5	C1	H6	108.632

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

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

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

States and conformations

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