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	hartrees
Energy at 0K	-139.795748
Energy at 298.15K
HF Energy	-139.198071
Nuclear repulsion energy	56.374684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2497	2497
2	A₁	2195	2195
3	A₁	1116	1116
4	A₁	701	701
5	E	2574	2574
5	E	2574	2574
6	E	1154	1154
6	E	1154	1154
7	E	844	844
7	E	844	844
8	E	310	310
8	E	309	309

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.356
C2	0.000	0.000	0.191
O3	0.000	0.000	1.322
H4	0.000	1.166	-1.646
H5	1.010	-0.583	-1.646
H6	-1.010	-0.583	-1.646

	B1	C2	O3	H4	H5	H6
B1		1.5472	2.6781	1.2016	1.2016	1.2016
C2	1.5472		1.1309	2.1760	2.1760	2.1760
O3	2.6781	1.1309		3.1890	3.1890	3.1890
H4	1.2016	2.1760	3.1890		2.0197	2.0197
H5	1.2016	2.1760	3.1890	2.0197		2.0197
H6	1.2016	2.1760	3.1890	2.0197	2.0197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.967
C2	B1	H5	103.967	C2	B1	H6	103.967
H4	B1	H5	114.370	H4	B1	H6	114.370
H5	B1	H6	114.370

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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: QCISD(T)=FULL/Def2TZVPP

States and conformations

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