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	hartrees
Energy at 0K	-139.782020
Energy at 298.15K
HF Energy	-139.201377
Nuclear repulsion energy	56.133346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2478	2478
2	A₁	2062	2062
3	A₁	1098	1098
4	A₁	701	701
5	E	2559	2559
5	E	2559	2559
6	E	1135	1135
6	E	1135	1135
7	E	826	826
7	E	824	824
8	E	299	299
8	E	295	295

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.359
C2	0.000	0.000	0.187
O3	0.000	0.000	1.328
H4	0.000	1.170	-1.648
H5	1.013	-0.585	-1.648
H6	-1.013	-0.585	-1.648

	B1	C2	O3	H4	H5	H6
B1		1.5463	2.6869	1.2049	1.2049	1.2049
C2	1.5463		1.1406	2.1764	2.1764	2.1764
O3	2.6869	1.1406		3.1975	3.1975	3.1975
H4	1.2049	2.1764	3.1975		2.0259	2.0259
H5	1.2049	2.1764	3.1975	2.0259		2.0259
H6	1.2049	2.1764	3.1975	2.0259	2.0259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.881
C2	B1	H5	103.881	C2	B1	H6	103.881
H4	B1	H5	114.436	H4	B1	H6	114.436
H5	B1	H6	114.436

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

using model chemistry: MP4/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: MP4/cc-pCVQZ

States and conformations

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