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	hartrees
Energy at 0K	-139.651853
Energy at 298.15K
HF Energy	-139.193611
Nuclear repulsion energy	56.640047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2533	2335	5.85
2	A₁	2341	2158	377.15
3	A₁	1161	1070	32.36
4	A₁	670	618	24.05
5	E	2610	2406	75.35
5	E	2610	2406	75.35
6	E	1192	1099	0.43
6	E	1192	1099	0.43
7	E	881	812	1.45
7	E	881	812	1.45
8	E	320	295	11.64
8	E	320	295	11.64

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.360
C2	0.000	0.000	0.201
O3	0.000	0.000	1.315
H4	0.000	1.165	-1.643
H5	1.009	-0.583	-1.643
H6	-1.009	-0.583	-1.643

	B1	C2	O3	H4	H5	H6
B1		1.5612	2.6756	1.1991	1.1991	1.1991
C2	1.5612		1.1144	2.1814	2.1814	2.1814
O3	2.6756	1.1144		3.1797	3.1797	3.1797
H4	1.1991	2.1814	3.1797		2.0182	2.0182
H5	1.1991	2.1814	3.1797	2.0182		2.0182
H6	1.1991	2.1814	3.1797	2.0182	2.0182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.647
C2	B1	H5	103.647	C2	B1	H6	103.647
H4	B1	H5	114.614	H4	B1	H6	114.614
H5	B1	H6	114.614

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

using model chemistry: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

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