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	hartrees
Energy at 0K	-139.709238
Energy at 298.15K
HF Energy	-139.192333
Nuclear repulsion energy	56.337876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2478	2363	4.22
2	A₁	2238	2134	347.41
3	A₁	1123	1071	22.66
4	A₁	678	647	27.30
5	E	2554	2436	64.38
5	E	2554	2436	64.38
6	E	1155	1102	0.20
6	E	1155	1102	0.20
7	E	852	813	1.49
7	E	852	813	1.49
8	E	311	297	9.51
8	E	311	297	9.51

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.362
C2	0.000	0.000	0.197
O3	0.000	0.000	1.322
H4	0.000	1.170	-1.649
H5	1.014	-0.585	-1.649
H6	-1.014	-0.585	-1.649

	B1	C2	O3	H4	H5	H6
B1		1.5589	2.6845	1.2051	1.2051	1.2051
C2	1.5589		1.1257	2.1857	2.1857	2.1857
O3	2.6845	1.1257		3.1938	3.1938	3.1938
H4	1.2051	2.1857	3.1938		2.0272	2.0272
H5	1.2051	2.1857	3.1938	2.0272		2.0272
H6	1.2051	2.1857	3.1938	2.0272	2.0272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.782
C2	B1	H5	103.782	C2	B1	H6	103.782
H4	B1	H5	114.511	H4	B1	H6	114.511
H5	B1	H6	114.511

All results from a given calculation for BH₃CO (Borane carbonyl)

using model chemistry: QCISD/6-311+G(3df,2p)

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 BH3CO (Borane carbonyl)

using model chemistry: QCISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for BH₃CO (Borane carbonyl)