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	hartrees
Energy at 0K	-138.623326
Energy at 298.15K
HF Energy	-138.352676
Nuclear repulsion energy	55.425426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2524	2376	5.18
2	A₁	2212	2082	248.64
3	A₁	1160	1092	13.13
4	A₁	635	597	15.57
5	E	2603	2450	47.86
5	E	2603	2450	47.86
6	E	1181	1112	0.29
6	E	1181	1112	0.29
7	E	907	854	0.01
7	E	907	854	0.01
8	E	343	323	20.11
8	E	343	323	20.11

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.386
C2	0.000	0.000	0.203
O3	0.000	0.000	1.348
H4	0.000	1.173	-1.690
H5	1.016	-0.587	-1.690
H6	-1.016	-0.587	-1.690

	B1	C2	O3	H4	H5	H6
B1		1.5892	2.7339	1.2123	1.2123	1.2123
C2	1.5892		1.1447	2.2275	2.2275	2.2275
O3	2.7339	1.1447		3.2568	3.2568	3.2568
H4	1.2123	2.2275	3.2568		2.0325	2.0325
H5	1.2123	2.2275	3.2568	2.0325		2.0325
H6	1.2123	2.2275	3.2568	2.0325	2.0325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.531
C2	B1	H5	104.531	C2	B1	H6	104.531
H4	B1	H5	113.927	H4	B1	H6	113.927
H5	B1	H6	113.927

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

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

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