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	hartrees
Energy at 0K	-139.794734
Energy at 298.15K
HF Energy	-139.198250
Nuclear repulsion energy	56.405914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2498	2498
2	A₁	2206	2206
3	A₁	1117	1117
4	A₁	702	702
5	E	2575	2575
5	E	2575	2575
6	E	1154	1154
6	E	1153	1153
7	E	844	844
7	E	844	844
8	E	308	308
8	E	308	308

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	1.321
H4	0.000	1.166	-1.645
H5	1.010	-0.583	-1.645
H6	-1.010	-0.583	-1.645

	B1	C2	O3	H4	H5	H6
B1		1.5473	2.6771	1.2014	1.2014	1.2014
C2	1.5473		1.1298	2.1755	2.1755	2.1755
O3	2.6771	1.1298		3.1874	3.1874	3.1874
H4	1.2014	2.1755	3.1874		2.0197	2.0197
H5	1.2014	2.1755	3.1874	2.0197		2.0197
H6	1.2014	2.1755	3.1874	2.0197	2.0197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.935
C2	B1	H5	103.935	C2	B1	H6	103.935
H4	B1	H5	114.394	H4	B1	H6	114.394
H5	B1	H6	114.394

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

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

States and conformations

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