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	hartrees
Energy at 0K	-139.952598
Energy at 298.15K	-139.954885
HF Energy	-139.743482
Nuclear repulsion energy	56.557357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2491	2491	1.75
2	A₁	2181	2181	388.04
3	A₁	1108	1108	6.20
4	A₁	733	733	33.43
5	E	2560	2560	45.86
5	E	2560	2560	45.87
6	E	1139	1139	0.01
6	E	1139	1139	0.01
7	E	833	833	3.10
7	E	833	833	3.10
8	E	309	309	6.55
8	E	309	309	6.56

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.344
C2	0.000	0.000	0.186
O3	0.000	0.000	1.317
H4	0.000	1.164	-1.644
H5	1.008	-0.582	-1.644
H6	-1.008	-0.582	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5299	2.6612	1.2023	1.2023	1.2023
C2	1.5299		1.1313	2.1686	2.1686	2.1686
O3	2.6612	1.1313		3.1814	3.1814	3.1814
H4	1.2023	2.1686	3.1814		2.0167	2.0167
H5	1.2023	2.1686	3.1814	2.0167		2.0167
H6	1.2023	2.1686	3.1814	2.0167	2.0167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.425
C2	B1	H5	104.425	C2	B1	H6	104.425
H4	B1	H5	114.011	H4	B1	H6	114.011
H5	B1	H6	114.011

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pCVTZ

States and conformations

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