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	hartrees
Energy at 0K	-139.709072
Energy at 298.15K	-139.711367
HF Energy	-139.195283
Nuclear repulsion energy	56.409704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2496	2496	6.39
2	A₁	2297	2297	338.89
3	A₁	1132	1132	28.62
4	A₁	668	668	25.53
5	E	2575	2575	64.54
5	E	2575	2575	64.54
6	E	1166	1166	0.30
6	E	1166	1166	0.30
7	E	861	861	1.12
7	E	861	861	1.12
8	E	314	314	10.64
8	E	314	314	10.64

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.364
C2	0.000	0.000	0.200
O3	0.000	0.000	1.321
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		1.5634	2.6844	1.2039	1.2039	1.2039
C2	1.5634		1.1211	2.1867	2.1867	2.1867
O3	2.6844	1.1211		3.1908	3.1908	3.1908
H4	1.2039	2.1867	3.1908		2.0262	2.0262
H5	1.2039	2.1867	3.1908	2.0262		2.0262
H6	1.2039	2.1867	3.1908	2.0262	2.0262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.653
C2	B1	H5	103.653	C2	B1	H6	103.653
H4	B1	H5	114.610	H4	B1	H6	114.610
H5	B1	H6	114.610

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

using model chemistry: CCD/cc-pCVTZ

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: CCD/cc-pCVTZ

States and conformations

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