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	hartrees
Energy at 0K	-139.572553
Energy at 298.15K
HF Energy	-139.144828
Nuclear repulsion energy	55.905114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2540	2372	8.16
2	A₁	2252	2103	338.00
3	A₁	1147	1071	29.22
4	A₁	659	615	22.99
5	E	2621	2448	73.49
5	E	2621	2448	73.49
6	E	1174	1096	0.10
6	E	1174	1096	0.10
7	E	859	803	0.10
7	E	859	803	0.10
8	E	300	280	13.52
8	E	300	280	13.52

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.376
C2	0.000	0.000	0.196
O3	0.000	0.000	1.335
H4	0.000	1.168	-1.658
H5	1.012	-0.584	-1.658
H6	-1.012	-0.584	-1.658

	B1	C2	O3	H4	H5	H6
B1		1.5729	2.7111	1.2018	1.2018	1.2018
C2	1.5729		1.1382	2.1917	2.1917	2.1917
O3	2.7111	1.1382		3.2125	3.2125	3.2125
H4	1.2018	2.1917	3.2125		2.0238	2.0238
H5	1.2018	2.1917	3.2125	2.0238		2.0238
H6	1.2018	2.1917	3.2125	2.0238	2.0238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.538
C2	B1	H5	103.538	C2	B1	H6	103.538
H4	B1	H5	114.696	H4	B1	H6	114.696
H5	B1	H6	114.696

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

using model chemistry: CCSD/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 BH3CO (Borane carbonyl)

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

States and conformations

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