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	hartrees
Energy at 0K	-139.648362
Energy at 298.15K
HF Energy	-139.193749
Nuclear repulsion energy	56.680283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2535	2343	6.11
2	A₁	2358	2179	382.88
3	A₁	1162	1074	33.24
4	A₁	669	618	23.75
5	E	2614	2415	75.03
5	E	2614	2415	75.03
6	E	1193	1103	0.43
6	E	1193	1103	0.43
7	E	883	816	1.44
7	E	883	816	1.44
8	E	321	297	11.74
8	E	321	297	11.74

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.360
C2	0.000	0.000	0.202
O3	0.000	0.000	1.314
H4	0.000	1.165	-1.642
H5	1.009	-0.583	-1.642
H6	-1.009	-0.583	-1.642

	B1	C2	O3	H4	H5	H6
B1		1.5615	2.6742	1.1988	1.1988	1.1988
C2	1.5615		1.1127	2.1813	2.1813	2.1813
O3	2.6742	1.1127		3.1781	3.1781	3.1781
H4	1.1988	2.1813	3.1781		2.0179	2.0179
H5	1.1988	2.1813	3.1781	2.0179		2.0179
H6	1.1988	2.1813	3.1781	2.0179	2.0179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.635
C2	B1	H5	103.635	C2	B1	H6	103.635
H4	B1	H5	114.623	H4	B1	H6	114.623
H5	B1	H6	114.623

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

using model chemistry: CID/6-311+G(3df,2p)

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: CID/6-311+G(3df,2p)

States and conformations

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