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	hartrees
Energy at 0K	-139.634524
Energy at 298.15K	-139.636726
HF Energy	-139.154207
Nuclear repulsion energy	55.359397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2471	2409
2	A₁	2014	1964
3	A₁	1095	1068
4	A₁	670	653
5	E	2551	2488
5	E	2551	2487
6	E	1131	1103
6	E	1131	1103
7	E	825	805
7	E	825	805
8	E	291	284
8	E	291	284

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.382
C2	0.000	0.000	0.192
O3	0.000	0.000	1.347
H4	0.000	1.184	-1.671
H5	1.026	-0.592	-1.671
H6	-1.026	-0.592	-1.671

	B1	C2	O3	H4	H5	H6
B1		1.5745	2.7291	1.2188	1.2188	1.2188
C2	1.5745		1.1546	2.2075	2.2075	2.2075
O3	2.7291	1.1546		3.2416	3.2416	3.2416
H4	1.2188	2.2075	3.2416		2.0511	2.0511
H5	1.2188	2.2075	3.2416	2.0511		2.0511
H6	1.2188	2.2075	3.2416	2.0511	2.0511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.691
C2	B1	H5	103.691	C2	B1	H6	103.691
H4	B1	H5	114.581	H4	B1	H6	114.581
H5	B1	H6	114.580

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

using model chemistry: MP4=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: MP4=FULL/aug-cc-pVDZ

States and conformations

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