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	hartrees
Energy at 0K	-139.714505
Energy at 298.15K	-139.716795
HF Energy	-139.194913
Nuclear repulsion energy	56.339352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2491	2491	5.50
2	A₁	2268	2268	334.50
3	A₁	1129	1129	26.23
4	A₁	671	671	25.73
5	E	2568	2568	64.25
5	E	2568	2568	64.25
6	E	1163	1163	0.28
6	E	1163	1163	0.28
7	E	857	857	1.16
7	E	857	857	1.16
8	E	313	313	10.38
8	E	313	313	10.38

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.364
C2	0.000	0.000	0.198
O3	0.000	0.000	1.322
H4	0.000	1.170	-1.649
H5	1.013	-0.585	-1.649
H6	-1.013	-0.585	-1.649

	B1	C2	O3	H4	H5	H6
B1		1.5628	2.6869	1.2043	1.2043	1.2043
C2	1.5628		1.1241	2.1868	2.1868	2.1868
O3	2.6869	1.1241		3.1936	3.1936	3.1936
H4	1.2043	2.1868	3.1936		2.0268	2.0268
H5	1.2043	2.1868	3.1936	2.0268		2.0268
H6	1.2043	2.1868	3.1936	2.0268	2.0268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.670
C2	B1	H5	103.670	C2	B1	H6	103.670
H4	B1	H5	114.596	H4	B1	H6	114.596
H5	B1	H6	114.596

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

using model chemistry: CCSD/cc-pCVTZ

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/cc-pCVTZ

States and conformations

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