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	hartrees
Energy at 0K	-139.888730
Energy at 298.15K
HF Energy	-139.726316
Nuclear repulsion energy	56.405849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2485	2485	2.55	223.51	0.00	0.00
2	A₁	2191	2191	385.32	88.74	0.31	0.48
3	A₁	1106	1106	6.04	22.40	0.54	0.70
4	A₁	726	726	32.10	3.26	0.10	0.18
5	E	2555	2555	50.24	114.25	0.75	0.86
5	E	2555	2555	50.24	114.25	0.75	0.86
6	E	1138	1138	0.01	20.56	0.75	0.86
6	E	1138	1138	0.01	20.56	0.75	0.86
7	E	834	834	2.39	0.22	0.75	0.86
7	E	834	834	2.39	0.22	0.75	0.86
8	E	309	309	8.00	0.29	0.75	0.86
8	E	309	309	8.00	0.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.350
C2	0.000	0.000	0.188
O3	0.000	0.000	1.321
H4	0.000	1.167	-1.648
H5	1.011	-0.583	-1.648
H6	-1.011	-0.583	-1.648

	B1	C2	O3	H4	H5	H6
B1		1.5376	2.6705	1.2045	1.2045	1.2045
C2	1.5376		1.1329	2.1756	2.1756	2.1756
O3	2.6705	1.1329		3.1902	3.1902	3.1902
H4	1.2045	2.1756	3.1902		2.0211	2.0211
H5	1.2045	2.1756	3.1902	2.0211		2.0211
H6	1.2045	2.1756	3.1902	2.0211	2.0211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.357
C2	B1	H5	104.357	C2	B1	H6	104.357
H4	B1	H5	114.065	H4	B1	H6	114.065
H5	B1	H6	114.065

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

using model chemistry: B2PLYP=FULL/6-311G**

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/6-311G**

States and conformations

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