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	hartrees
Energy at 0K	-139.208904
Energy at 298.15K	-139.211104
HF Energy	-139.208904
Nuclear repulsion energy	56.880429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2438	2399	1.75
2	A₁	2203	2168	450.39
3	A₁	1047	1030	8.65
4	A₁	833	820	13.88
5	E	2526	2486	7.55
5	E	2526	2486	7.55
6	E	1034	1017	0.40
6	E	1034	1017	0.41
7	E	767	755	13.17
7	E	767	755	13.17
8	E	299	294	0.99
8	E	299	294	0.99

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.310
C2	0.000	0.000	0.166
O3	0.000	0.000	1.307
H4	0.000	1.171	-1.633
H5	1.014	-0.586	-1.633
H6	-1.014	-0.586	-1.633

	B1	C2	O3	H4	H5	H6
B1		1.4763	2.6167	1.2150	1.2150	1.2150
C2	1.4763		1.1404	2.1472	2.1472	2.1472
O3	2.6167	1.1404		3.1648	3.1648	3.1648
H4	1.2150	2.1472	3.1648		2.0286	2.0286
H5	1.2150	2.1472	3.1648	2.0286		2.0286
H6	1.2150	2.1472	3.1648	2.0286	2.0286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	105.434
C2	B1	H5	105.434	C2	B1	H6	105.434
H4	B1	H5	113.189	H4	B1	H6	113.189
H5	B1	H6	113.189

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

using model chemistry: LSDA/6-31G(2df,p)

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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Number	Element	Mulliken
1	B	-0.552
2	C	0.493
3	O	-0.085
4	H	0.048
5	H	0.048
6	H	0.048

<r²>	46.544
(<r²>)^1/2	6.822

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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