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	hartrees
Energy at 0K	-139.650640
Energy at 298.15K	-139.652937
HF Energy	-139.173832
Nuclear repulsion energy	56.446967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2485	2485	5.98
2	A₁	2352	2352	420.52
3	A₁	1113	1113	10.98
4	A₁	694	694	29.08
5	E	2570	2570	51.74
5	E	2570	2570	51.74
6	E	1140	1140	0.05
6	E	1140	1140	0.05
7	E	859	859	1.50
7	E	859	859	1.50
8	E	321	321	11.47
8	E	321	321	11.47

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.358
C2	0.000	0.000	0.200
O3	0.000	0.000	1.319
H4	0.000	1.172	-1.654
H5	1.015	-0.586	-1.654
H6	-1.015	-0.586	-1.654

	B1	C2	O3	H4	H5	H6
B1		1.5577	2.6775	1.2088	1.2088	1.2088
C2	1.5577		1.1197	2.1932	2.1932	2.1932
O3	2.6775	1.1197		3.1961	3.1961	3.1961
H4	1.2088	2.1932	3.1961		2.0299	2.0299
H5	1.2088	2.1932	3.1961	2.0299		2.0299
H6	1.2088	2.1932	3.1961	2.0299	2.0299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.178
C2	B1	H5	104.178	C2	B1	H6	104.178
H4	B1	H5	114.205	H4	B1	H6	114.205
H5	B1	H6	114.205

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

using model chemistry: MP3=FULL/6-311G*

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: MP3=FULL/6-311G*

States and conformations

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