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	hartrees
Energy at 0K	-139.571845
Energy at 298.15K	-139.574096
HF Energy	-139.138522
Nuclear repulsion energy	55.945918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2507	2507
2	A₁	2243	2243
3	A₁	1124	1124
4	A₁	701	701
5	E	2588	2588
5	E	2588	2588
6	E	1146	1146
6	E	1146	1146
7	E	853	853
7	E	852	852
8	E	306	306
8	E	306	306

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.365
C2	0.000	0.000	0.190
O3	0.000	0.000	1.332
H4	0.000	1.175	-1.658
H5	1.017	-0.587	-1.658
H6	-1.017	-0.587	-1.658

	B1	C2	O3	H4	H5	H6
B1		1.5556	2.6970	1.2106	1.2106	1.2106
C2	1.5556		1.1415	2.1899	2.1899	2.1899
O3	2.6970	1.1415		3.2121	3.2121	3.2121
H4	1.2106	2.1899	3.2121		2.0346	2.0346
H5	1.2106	2.1899	3.2121	2.0346		2.0346
H6	1.2106	2.1899	3.2121	2.0346	2.0346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.988
C2	B1	H5	103.988	C2	B1	H6	103.988
H4	B1	H5	114.353	H4	B1	H6	114.353
H5	B1	H6	114.353

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

using model chemistry: QCISD(TQ)=FULL/6-31G*

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(TQ)=FULL/6-31G*

States and conformations

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