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	hartrees
Energy at 0K	-139.898311
Energy at 298.15K
HF Energy	-139.737440
Nuclear repulsion energy	56.483423

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	2495	2381	2.30	251.63	0.00	0.00
2	A₁	2189	2088	411.57	100.36	0.31	0.47
3	A₁	1109	1059	5.48	22.24	0.53	0.69
4	A₁	732	698	34.19	3.67	0.08	0.15
5	E	2568	2450	49.44	112.82	0.75	0.86
5	E	2568	2450	49.44	112.83	0.75	0.86
6	E	1141	1088	0.01	17.46	0.75	0.86
6	E	1141	1088	0.01	17.46	0.75	0.86
7	E	837	799	2.89	0.50	0.75	0.86
7	E	837	799	2.89	0.50	0.75	0.86
8	E	306	292	7.67	0.26	0.75	0.86
8	E	306	292	7.67	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.346
C2	0.000	0.000	0.186
O3	0.000	0.000	1.319
H4	0.000	1.165	-1.647
H5	1.009	-0.583	-1.647
H6	-1.009	-0.583	-1.647

	B1	C2	O3	H4	H5	H6
B1		1.5317	2.6646	1.2034	1.2034	1.2034
C2	1.5317		1.1329	2.1720	2.1720	2.1720
O3	2.6646	1.1329		3.1865	3.1865	3.1865
H4	1.2034	2.1720	3.1865		2.0180	2.0180
H5	1.2034	2.1720	3.1865	2.0180		2.0180
H6	1.2034	2.1720	3.1865	2.0180	2.0180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.499
C2	B1	H5	104.499	C2	B1	H6	104.499
H4	B1	H5	113.952	H4	B1	H6	113.952
H5	B1	H6	113.952

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

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

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