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	hartrees
Energy at 0K	-139.629470
Energy at 298.15K	-139.631686
HF Energy	-139.156552
Nuclear repulsion energy	55.586566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2466	2395
2	A₁	2156	2094
3	A₁	1098	1066
4	A₁	665	645
5	E	2544	2471
5	E	2544	2471
6	E	1132	1099
6	E	1131	1099
7	E	831	808
7	E	831	808
8	E	296	288
8	E	296	288

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	1.340
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		1.5780	2.7211	1.2191	1.2191	1.2191
C2	1.5780		1.1432	2.2087	2.2087	2.2087
O3	2.7211	1.1432		3.2321	3.2321	3.2321
H4	1.2191	2.2087	3.2321		2.0527	2.0527
H5	1.2191	2.2087	3.2321	2.0527		2.0527
H6	1.2191	2.2087	3.2321	2.0527	2.0527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.562
C2	B1	H5	103.562	C2	B1	H6	103.562
H4	B1	H5	114.678	H4	B1	H6	114.678
H5	B1	H6	114.678

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

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

States and conformations

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