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	hartrees
Energy at 0K	-139.658215
Energy at 298.15K
HF Energy	-139.200344
Nuclear repulsion energy	56.597528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2545	2545	6.91
2	A₁	2340	2340	365.95
3	A₁	1164	1164	33.18
4	A₁	669	669	23.52
5	E	2624	2624	77.60
5	E	2624	2624	77.60
6	E	1196	1196	0.54
6	E	1196	1196	0.54
7	E	883	883	1.40
7	E	883	883	1.40
8	E	320	320	12.17
8	E	320	320	12.17

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.362
C2	0.000	0.000	0.201
O3	0.000	0.000	1.317
H4	0.000	1.165	-1.644
H5	1.009	-0.583	-1.644
H6	-1.009	-0.583	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5628	2.6782	1.1989	1.1989	1.1989
C2	1.5628		1.1154	2.1824	2.1824	2.1824
O3	2.6782	1.1154		3.1817	3.1817	3.1817
H4	1.1989	2.1824	3.1817		2.0180	2.0180
H5	1.1989	2.1824	3.1817	2.0180		2.0180
H6	1.1989	2.1824	3.1817	2.0180	2.0180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.629
C2	B1	H5	103.629	C2	B1	H6	103.629
H4	B1	H5	114.628	H4	B1	H6	114.628
H5	B1	H6	114.628

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

using model chemistry: CISD/Def2TZVPP

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/Def2TZVPP

States and conformations

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