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	hartrees
Energy at 0K	-139.627599
Energy at 298.15K	-139.629884
HF Energy	-139.188574
Nuclear repulsion energy	56.491563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2528	2364	6.99
2	A₁	2358	2205	411.00
3	A₁	1141	1067	25.46
4	A₁	675	632	27.34
5	E	2613	2443	66.26
5	E	2613	2443	66.26
6	E	1175	1099	0.14
6	E	1175	1099	0.14
7	E	867	811	0.67
7	E	867	811	0.67
8	E	309	289	12.34
8	E	309	289	12.34

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.361
C2	0.000	0.000	0.200
O3	0.000	0.000	1.319
H4	0.000	1.168	-1.648
H5	1.011	-0.584	-1.648
H6	-1.011	-0.584	-1.648

	B1	C2	O3	H4	H5	H6
B1		1.5613	2.6802	1.2026	1.2026	1.2026
C2	1.5613		1.1189	2.1863	2.1863	2.1863
O3	2.6802	1.1189		3.1887	3.1887	3.1887
H4	1.2026	2.1863	3.1887		2.0228	2.0228
H5	1.2026	2.1863	3.1887	2.0228		2.0228
H6	1.2026	2.1863	3.1887	2.0228	2.0228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.807
C2	B1	H5	103.807	C2	B1	H6	103.807
H4	B1	H5	114.492	H4	B1	H6	114.492
H5	B1	H6	114.492

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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