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	hartrees
Energy at 0K	-139.659207
Energy at 298.15K
HF Energy	-139.195848
Nuclear repulsion energy	56.578535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2542	2542	7.12
2	A₁	2338	2338	356.17
3	A₁	1164	1164	34.58
4	A₁	664	664	22.79
5	E	2620	2620	75.59
5	E	2620	2620	75.59
6	E	1196	1196	0.54
6	E	1196	1196	0.54
7	E	883	883	1.14
7	E	883	883	1.14
8	E	320	320	12.55
8	E	320	320	12.55

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.363
C2	0.000	0.000	0.202
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		1.5648	2.6802	1.1987	1.1987	1.1987
C2	1.5648		1.1154	2.1830	2.1830	2.1830
O3	2.6802	1.1154		3.1824	3.1824	3.1824
H4	1.1987	2.1830	3.1824		2.0183	2.0183
H5	1.1987	2.1830	3.1824	2.0183		2.0183
H6	1.1987	2.1830	3.1824	2.0183	2.0183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.566
C2	B1	H5	103.566	C2	B1	H6	103.566
H4	B1	H5	114.675	H4	B1	H6	114.675
H5	B1	H6	114.675

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

using model chemistry: CISD/cc-pCVTZ

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/cc-pCVTZ

States and conformations

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