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	hartrees
Energy at 0K	-139.614427
Energy at 298.15K
HF Energy	-139.158992
Nuclear repulsion energy	55.734382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2477	2477	5.26
2	A₁	2229	2229	331.52
3	A₁	1112	1112	32.09
4	A₁	652	652	21.34
5	E	2554	2554	72.83
5	E	2554	2554	72.83
6	E	1146	1146	0.66
6	E	1146	1146	0.66
7	E	851	851	0.54
7	E	851	851	0.54
8	E	307	307	9.76
8	E	307	307	9.76

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.382
C2	0.000	0.000	0.202
O3	0.000	0.000	1.337
H4	0.000	1.183	-1.665
H5	1.025	-0.592	-1.665
H6	-1.025	-0.592	-1.665

	B1	C2	O3	H4	H5	H6
B1		1.5831	2.7184	1.2167	1.2167	1.2167
C2	1.5831		1.1352	2.2101	2.2101	2.2101
O3	2.7184	1.1352		3.2267	3.2267	3.2267
H4	1.2167	2.2101	3.2267		2.0493	2.0493
H5	1.2167	2.2101	3.2267	2.0493		2.0493
H6	1.2167	2.2101	3.2267	2.0493	2.0493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.478
C2	B1	H5	103.478	C2	B1	H6	103.478
H4	B1	H5	114.741	H4	B1	H6	114.741
H5	B1	H6	114.741

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

using model chemistry: CCSD=FULL/daug-cc-pVDZ

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=FULL/daug-cc-pVDZ

States and conformations

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