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	hartrees
Energy at 0K	-140.010124
Energy at 298.15K	-140.012665
HF Energy	-139.827687
Nuclear repulsion energy	54.305559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3072	2948	0.02
2	A₁	2001	1920	171.80
3	A₁	1350	1295	11.97
4	A₁	821	788	0.00
5	E	3145	3017	0.58
5	E	3145	3017	0.58
6	E	1474	1414	5.35
6	E	1474	1414	5.36
7	E	924	886	22.70
7	E	924	886	22.70
8	E	360	345	12.68
8	E	360	345	12.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.293
B2	0.000	0.000	0.239
O3	0.000	0.000	1.449
H4	0.000	1.019	-1.674
H5	0.882	-0.509	-1.674
H6	-0.882	-0.509	-1.674

	C1	B2	O3	H4	H5	H6
C1		1.5324	2.7420	1.0878	1.0878	1.0878
B2	1.5324		1.2096	2.1678	2.1678	2.1678
O3	2.7420	1.2096		3.2851	3.2851	3.2851
H4	1.0878	2.1678	3.2851		1.7648	1.7648
H5	1.0878	2.1678	3.2851	1.7648		1.7648
H6	1.0878	2.1678	3.2851	1.7648	1.7648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.506
B2	C1	H5	110.506	B2	C1	H6	110.506
H4	C1	H5	108.417	H4	C1	H6	108.417
H5	C1	H6	108.417

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3BO (Borane, methyloxo-)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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