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	hartrees
Energy at 0K	-139.864490
Energy at 298.15K	-139.866792
HF Energy	-139.194978
Nuclear repulsion energy	56.459972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2497	2497	5.05
2	A₁	2275	2275	341.92
3	A₁	1132	1132	23.76
4	A₁	679	679	27.12
5	E	2574	2574	62.49
5	E	2574	2574	62.49
6	E	1164	1164	0.21
6	E	1164	1164	0.21
7	E	859	859	1.39
7	E	859	859	1.39
8	E	315	315	10.26
8	E	315	315	10.26

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.360
C2	0.000	0.000	0.197
O3	0.000	0.000	1.320
H4	0.000	1.168	-1.646
H5	1.011	-0.584	-1.646
H6	-1.011	-0.584	-1.646

	B1	C2	O3	H4	H5	H6
B1		1.5571	2.6795	1.2024	1.2024	1.2024
C2	1.5571		1.1225	2.1820	2.1820	2.1820
O3	2.6795	1.1225		3.1873	3.1873	3.1873
H4	1.2024	2.1820	3.1873		2.0229	2.0229
H5	1.2024	2.1820	3.1873	2.0229		2.0229
H6	1.2024	2.1820	3.1873	2.0229	2.0229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.762
C2	B1	H5	103.762	C2	B1	H6	103.762
H4	B1	H5	114.526	H4	B1	H6	114.526
H5	B1	H6	114.526

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pCVTZ

States and conformations

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