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	hartrees
Energy at 0K	-139.822592
Energy at 298.15K	-139.825112
HF Energy	-139.277314
Nuclear repulsion energy	54.304300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3113	2955	0.16
2	A₁	2006	1904	124.57
3	A₁	1344	1276	14.18
4	A₁	830	788	0.09
5	E	3195	3033	0.03
5	E	3195	3033	0.03
6	E	1487	1412	5.44
6	E	1487	1412	5.44
7	E	914	868	21.84
7	E	914	868	21.84
8	E	351	333	10.00
8	E	351	333	10.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.295
B2	0.000	0.000	0.237
O3	0.000	0.000	1.450
H4	0.000	1.016	-1.672
H5	0.880	-0.508	-1.672
H6	-0.880	-0.508	-1.672

	C1	B2	O3	H4	H5	H6
C1		1.5316	2.7442	1.0842	1.0842	1.0842
B2	1.5316		1.2126	2.1626	2.1626	2.1626
O3	2.7442	1.2126		3.2828	3.2828	3.2828
H4	1.0842	2.1626	3.2828		1.7605	1.7605
H5	1.0842	2.1626	3.2828	1.7605		1.7605
H6	1.0842	2.1626	3.2828	1.7605	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.364
B2	C1	H5	110.364	B2	C1	H6	110.364
H4	C1	H5	108.564	H4	C1	H6	108.564
H5	C1	H6	108.564

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

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