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	hartrees
Energy at 0K	-139.630382
Energy at 298.15K	-139.632597
HF Energy	-139.156365
Nuclear repulsion energy	55.562185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2465	2391
2	A₁	2145	2081
3	A₁	1097	1064
4	A₁	665	645
5	E	2544	2468
5	E	2544	2468
6	E	1131	1097
6	E	1131	1097
7	E	831	806
7	E	831	806
8	E	296	287
8	E	296	287

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.381
C2	0.000	0.000	0.197
O3	0.000	0.000	1.341
H4	0.000	1.185	-1.667
H5	1.026	-0.593	-1.667
H6	-1.026	-0.593	-1.667

	B1	C2	O3	H4	H5	H6
B1		1.5779	2.7221	1.2191	1.2191	1.2191
C2	1.5779		1.1442	2.2089	2.2089	2.2089
O3	2.7221	1.1442		3.2333	3.2333	3.2333
H4	1.2191	2.2089	3.2333		2.0526	2.0526
H5	1.2191	2.2089	3.2333	2.0526		2.0526
H6	1.2191	2.2089	3.2333	2.0526	2.0526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.578
C2	B1	H5	103.578	C2	B1	H6	103.578
H4	B1	H5	114.666	H4	B1	H6	114.666
H5	B1	H6	114.666

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

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

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/aug-cc-pVDZ

States and conformations

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