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	hartrees
Energy at 0K	-139.775307
Energy at 298.15K
HF Energy	-139.203529
Nuclear repulsion energy	56.359363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2476	2476
2	A₁	2203	2203
3	A₁	1104	1104
4	A₁	694	694
5	E	2556	2556
5	E	2555	2555
6	E	1138	1138
6	E	1138	1138
7	E	834	834
7	E	833	833
8	E	303	303
8	E	301	301

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.358
C2	0.000	0.000	0.192
O3	0.000	0.000	1.321
H4	0.000	1.170	-1.644
H5	1.014	-0.585	-1.644
H6	-1.014	-0.585	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5504	2.6796	1.2049	1.2049	1.2049
C2	1.5504		1.1292	2.1777	2.1777	2.1777
O3	2.6796	1.1292		3.1883	3.1883	3.1883
H4	1.2049	2.1777	3.1883		2.0273	2.0273
H5	1.2049	2.1777	3.1883	2.0273		2.0273
H6	1.2049	2.1777	3.1883	2.0273	2.0273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.734
C2	B1	H5	103.734	C2	B1	H6	103.734
H4	B1	H5	114.548	H4	B1	H6	114.548
H5	B1	H6	114.548

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

using model chemistry: CCSD(T)/cc-pCVQZ

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)/cc-pCVQZ

States and conformations

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