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	hartrees
Energy at 0K	-139.606555
Energy at 298.15K
HF Energy	-139.158917
Nuclear repulsion energy	55.663788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2469	2469	5.66
2	A₁	2225	2225	327.44
3	A₁	1110	1110	33.59
4	A₁	644	644	20.37
5	E	2547	2547	74.10
5	E	2547	2547	74.10
6	E	1144	1144	0.72
6	E	1144	1144	0.72
7	E	850	850	0.45
7	E	850	850	0.45
8	E	305	305	9.82
8	E	305	305	9.82

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.384
C2	0.000	0.000	0.203
O3	0.000	0.000	1.339
H4	0.000	1.185	-1.667
H5	1.026	-0.592	-1.667
H6	-1.026	-0.592	-1.667

	B1	C2	O3	H4	H5	H6
B1		1.5870	2.7229	1.2179	1.2179	1.2179
C2	1.5870		1.1359	2.2135	2.2135	2.2135
O3	2.7229	1.1359		3.2307	3.2307	3.2307
H4	1.2179	2.2135	3.2307		2.0519	2.0519
H5	1.2179	2.2135	3.2307	2.0519		2.0519
H6	1.2179	2.2135	3.2307	2.0519	2.0519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.425
C2	B1	H5	103.425	C2	B1	H6	103.425
H4	B1	H5	114.781	H4	B1	H6	114.781
H5	B1	H6	114.781

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

using model chemistry: CCSD/daug-cc-pVDZ

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: CCSD/daug-cc-pVDZ

States and conformations

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