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	hartrees
Energy at 0K	-139.870014
Energy at 298.15K	-139.872283
HF Energy	-139.700078
Nuclear repulsion energy	56.086131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2483	2483	3.02
2	A₁	2178	2178	371.42
3	A₁	1093	1093	5.89
4	A₁	726	726	28.53
5	E	2564	2564	51.95
5	E	2564	2564	51.95
6	E	1121	1121	0.03
6	E	1121	1121	0.03
7	E	825	825	2.73
7	E	825	825	2.73
8	E	304	304	7.36
8	E	304	304	7.36

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.357
C2	0.000	0.000	0.189
O3	0.000	0.000	1.327
H4	0.000	1.178	-1.656
H5	1.020	-0.589	-1.656
H6	-1.020	-0.589	-1.656

	B1	C2	O3	H4	H5	H6
B1		1.5453	2.6840	1.2155	1.2155	1.2155
C2	1.5453		1.1387	2.1887	2.1887	2.1887
O3	2.6840	1.1387		3.2075	3.2075	3.2075
H4	1.2155	2.1887	3.2075		2.0405	2.0405
H5	1.2155	2.1887	3.2075	2.0405		2.0405
H6	1.2155	2.1887	3.2075	2.0405	2.0405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.256
C2	B1	H5	104.256	C2	B1	H6	104.256
H4	B1	H5	114.144	H4	B1	H6	114.144
H5	B1	H6	114.144

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

using model chemistry: B2PLYP=FULL/cc-pCVDZ

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-pCVDZ

States and conformations

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