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	hartrees
Energy at 0K	-139.861673
Energy at 298.15K	-139.863956
HF Energy	-139.203064
Nuclear repulsion energy	56.501186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2486	2486
2	A₁	2204	2204
3	A₁	1108	1108
4	A₁	713	713
5	E	2569	2569
5	E	2568	2568
6	E	1150	1150
6	E	1149	1149
7	E	840	840
7	E	838	838
8	E	314	314
8	E	310	310

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.352
C2	0.000	0.000	0.190
O3	0.000	0.000	1.318
H4	0.000	1.167	-1.641
H5	1.011	-0.584	-1.641
H6	-1.011	-0.584	-1.641

	B1	C2	O3	H4	H5	H6
B1		1.5421	2.6704	1.2021	1.2021	1.2021
C2	1.5421		1.1283	2.1707	2.1707	2.1707
O3	2.6704	1.1283		3.1805	3.1805	3.1805
H4	1.2021	2.1707	3.1805		2.0214	2.0214
H5	1.2021	2.1707	3.1805	2.0214		2.0214
H6	1.2021	2.1707	3.1805	2.0214	2.0214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.871
C2	B1	H5	103.871	C2	B1	H6	103.871
H4	B1	H5	114.443	H4	B1	H6	114.443
H5	B1	H6	114.443

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

using model chemistry: QCISD(T)=FULL/cc-pVQZ

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/cc-pVQZ

States and conformations

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