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	hartrees
Energy at 0K	-139.661698
Energy at 298.15K
HF Energy	-139.196270
Nuclear repulsion energy	56.566804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2539	2539	5.51
2	A₁	2331	2331	372.21
3	A₁	1161	1161	33.45
4	A₁	669	669	23.19
5	E	2618	2618	76.65
5	E	2618	2618	76.69
6	E	1192	1192	0.65
6	E	1192	1192	0.65
7	E	880	880	1.24
7	E	880	880	1.24
8	E	319	319	11.55
8	E	319	319	11.54

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.363
C2	0.000	0.000	0.201
O3	0.000	0.000	1.317
H4	0.000	1.166	-1.643
H5	1.010	-0.583	-1.643
H6	-1.010	-0.583	-1.643

	B1	C2	O3	H4	H5	H6
B1		1.5633	2.6798	1.1992	1.1992	1.1992
C2	1.5633		1.1165	2.1817	2.1817	2.1817
O3	2.6798	1.1165		3.1818	3.1818	3.1818
H4	1.1992	2.1817	3.1818		2.0193	2.0193
H5	1.1992	2.1817	3.1818	2.0193		2.0193
H6	1.1992	2.1817	3.1818	2.0193	2.0193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.541
C2	B1	H5	103.541	C2	B1	H6	103.541
H4	B1	H5	114.693	H4	B1	H6	114.693
H5	B1	H6	114.693

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

using model chemistry: CISD/daug-cc-pVTZ

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: CISD/daug-cc-pVTZ

States and conformations

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