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	hartrees
Energy at 0K	-139.735899
Energy at 298.15K
HF Energy	-139.202038
Nuclear repulsion energy	56.416860

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	2515	2385	2.22	274.55	0.00	0.00
2	A₁	2166	2054	288.88	130.45	0.28	0.44
3	A₁	1113	1056	14.81	21.06	0.37	0.54
4	A₁	717	680	38.32	1.64	0.01	0.02
5	E	2603	2468	50.24	102.76	0.75	0.86
5	E	2603	2468	50.24	102.76	0.75	0.86
6	E	1153	1094	0.10	12.19	0.75	0.86
6	E	1153	1094	0.10	12.19	0.75	0.86
7	E	833	790	2.03	1.02	0.75	0.86
7	E	833	790	2.03	1.02	0.75	0.86
8	E	305	289	6.55	0.38	0.75	0.86
8	E	305	289	6.55	0.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.353
C2	0.000	0.000	0.186
O3	0.000	0.000	1.320
H4	0.000	1.166	-1.640
H5	1.010	-0.583	-1.640
H6	-1.010	-0.583	-1.640

	B1	C2	O3	H4	H5	H6
B1		1.5391	2.6731	1.2008	1.2008	1.2008
C2	1.5391		1.1340	2.1667	2.1667	2.1667
O3	2.6731	1.1340		3.1816	3.1816	3.1816
H4	1.2008	2.1667	3.1816		2.0195	2.0195
H5	1.2008	2.1667	3.1816	2.0195		2.0195
H6	1.2008	2.1667	3.1816	2.0195	2.0195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.836
C2	B1	H5	103.836	C2	B1	H6	103.836
H4	B1	H5	114.470	H4	B1	H6	114.470
H5	B1	H6	114.470

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

using model chemistry: MP2/cc-pVQZ

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: MP2/cc-pVQZ

States and conformations

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