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	hartrees
Energy at 0K	-139.598970
Energy at 298.15K	-139.601211
HF Energy	-139.158262
Nuclear repulsion energy	55.721935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2478	2390	6.23
2	A₁	2253	2173	333.52
3	A₁	1117	1078	36.38
4	A₁	643	620	19.93
5	E	2558	2468	74.63
5	E	2558	2468	74.63
6	E	1148	1107	0.74
6	E	1148	1107	0.74
7	E	851	821	0.37
7	E	851	821	0.37
8	E	304	293	10.26
8	E	304	293	10.26

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.384
C2	0.000	0.000	0.204
O3	0.000	0.000	1.337
H4	0.000	1.185	-1.667
H5	1.026	-0.592	-1.667
H6	-1.026	-0.592	-1.667

	B1	C2	O3	H4	H5	H6
B1		1.5874	2.7206	1.2182	1.2182	1.2182
C2	1.5874		1.1331	2.2141	2.2141	2.2141
O3	2.7206	1.1331		3.2288	3.2288	3.2288
H4	1.2182	2.2141	3.2288		2.0524	2.0524
H5	1.2182	2.2141	3.2288	2.0524		2.0524
H6	1.2182	2.2141	3.2288	2.0524	2.0524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.429
C2	B1	H5	103.429	C2	B1	H6	103.429
H4	B1	H5	114.778	H4	B1	H6	114.778
H5	B1	H6	114.777

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

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