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	hartrees
Energy at 0K	-139.604030
Energy at 298.15K
HF Energy	-139.157809
Nuclear repulsion energy	55.647084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2473	2383	5.42
2	A₁	2221	2140	328.24
3	A₁	1114	1073	33.52
4	A₁	645	622	20.18
5	E	2551	2457	74.21
5	E	2551	2457	74.21
6	E	1145	1103	0.71
6	E	1145	1103	0.71
7	E	848	817	0.42
7	E	848	817	0.42
8	E	303	292	10.06
8	E	303	292	10.06

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
C2	0.000	0.000	0.203
O3	0.000	0.000	1.339
H4	0.000	1.185	-1.668
H5	1.026	-0.593	-1.668
H6	-1.026	-0.593	-1.668

	B1	C2	O3	H4	H5	H6
B1		1.5871	2.7234	1.2187	1.2187	1.2187
C2	1.5871		1.1363	2.2145	2.2145	2.2145
O3	2.7234	1.1363		3.2320	3.2320	3.2320
H4	1.2187	2.2145	3.2320		2.0529	2.0529
H5	1.2187	2.2145	3.2320	2.0529		2.0529
H6	1.2187	2.2145	3.2320	2.0529	2.0529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.449
C2	B1	H5	103.449	C2	B1	H6	103.449
H4	B1	H5	114.763	H4	B1	H6	114.763
H5	B1	H6	114.762

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

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

States and conformations

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