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	hartrees
Energy at 0K	-139.649519
Energy at 298.15K
HF Energy	-139.158667
Nuclear repulsion energy	56.309923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2531	2393	4.81
2	A₁	2280	2156	319.00
3	A₁	1138	1076	20.16
4	A₁	680	643	25.29
5	E	2617	2474	43.92
5	E	2617	2474	43.92
6	E	1169	1106	0.18
6	E	1169	1106	0.18
7	E	869	821	2.55
7	E	869	821	2.55
8	E	318	301	10.23
8	E	318	301	10.23

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.364
C2	0.000	0.000	0.197
O3	0.000	0.000	1.323
H4	0.000	1.169	-1.649
H5	1.013	-0.585	-1.649
H6	-1.013	-0.585	-1.649

	B1	C2	O3	H4	H5	H6
B1		1.5606	2.6871	1.2037	1.2037	1.2037
C2	1.5606		1.1266	2.1852	2.1852	2.1852
O3	2.6871	1.1266		3.1943	3.1943	3.1943
H4	1.2037	2.1852	3.1943		2.0255	2.0255
H5	1.2037	2.1852	3.1943	2.0255		2.0255
H6	1.2037	2.1852	3.1943	2.0255	2.0255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.714
C2	B1	H5	103.714	C2	B1	H6	103.714
H4	B1	H5	114.563	H4	B1	H6	114.563
H5	B1	H6	114.563

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

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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