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	hartrees
Energy at 0K	-139.621842
Energy at 298.15K	-139.624050
HF Energy	-139.156455
Nuclear repulsion energy	55.519167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2459	2367
2	A₁	2152	2071
3	A₁	1096	1055
4	A₁	658	633
5	E	2537	2442
5	E	2537	2442
6	E	1130	1088
6	E	1130	1088
7	E	831	800
7	E	831	800
8	E	295	284
8	E	295	284

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.384
C2	0.000	0.000	0.198
O3	0.000	0.000	1.342
H4	0.000	1.187	-1.669
H5	1.028	-0.593	-1.669
H6	-1.028	-0.593	-1.669

	B1	C2	O3	H4	H5	H6
B1		1.5816	2.7255	1.2203	1.2203	1.2203
C2	1.5816		1.1439	2.2119	2.2119	2.2119
O3	2.7255	1.1439		3.2359	3.2359	3.2359
H4	1.2203	2.2119	3.2359		2.0552	2.0552
H5	1.2203	2.2119	3.2359	2.0552		2.0552
H6	1.2203	2.2119	3.2359	2.0552	2.0552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.508
C2	B1	H5	103.508	C2	B1	H6	103.508
H4	B1	H5	114.719	H4	B1	H6	114.719
H5	B1	H6	114.719

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

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

States and conformations

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