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	hartrees
Energy at 0K	-139.655682
Energy at 298.15K
HF Energy	-139.195990
Nuclear repulsion energy	56.620978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2545	2545	7.39
2	A₁	2356	2356	361.81
3	A₁	1165	1165	35.41
4	A₁	663	663	22.49
5	E	2623	2623	75.27
5	E	2623	2623	75.27
6	E	1198	1198	0.54
6	E	1198	1198	0.54
7	E	885	885	1.13
7	E	885	885	1.13
8	E	321	321	12.65
8	E	321	321	12.65

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.363
C2	0.000	0.000	0.202
O3	0.000	0.000	1.316
H4	0.000	1.165	-1.644
H5	1.009	-0.583	-1.644
H6	-1.009	-0.583	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5651	2.6787	1.1985	1.1985	1.1985
C2	1.5651		1.1136	2.1829	2.1829	2.1829
O3	2.6787	1.1136		3.1807	3.1807	3.1807
H4	1.1985	2.1829	3.1807		2.0180	2.0180
H5	1.1985	2.1829	3.1807	2.0180		2.0180
H6	1.1985	2.1829	3.1807	2.0180	2.0180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.555
C2	B1	H5	103.555	C2	B1	H6	103.555
H4	B1	H5	114.683	H4	B1	H6	114.683
H5	B1	H6	114.683

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

using model chemistry: CID/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: CID/cc-pCVTZ

States and conformations

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