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	hartrees
Energy at 0K	-139.754040
Energy at 298.15K
HF Energy	-139.193351
Nuclear repulsion energy	56.508491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2520	2520	1.78	299.98	0.00	0.00
2	A₁	2179	2179	298.13	134.85	0.27	0.42
3	A₁	1122	1122	13.47	21.44	0.31	0.47
4	A₁	730	730	38.80	2.36	0.01	0.02
5	E	2610	2610	50.71	101.79	0.75	0.86
5	E	2610	2610	50.71	101.79	0.75	0.86
6	E	1164	1164	0.07	9.43	0.75	0.86
6	E	1164	1164	0.07	9.43	0.75	0.86
7	E	838	838	2.08	1.24	0.75	0.86
7	E	838	838	2.08	1.24	0.75	0.86
8	E	309	309	6.32	0.59	0.75	0.86
8	E	309	309	6.32	0.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.350
C2	0.000	0.000	0.185
O3	0.000	0.000	1.319
H4	0.000	1.162	-1.638
H5	1.007	-0.581	-1.638
H6	-1.007	-0.581	-1.638

	B1	C2	O3	H4	H5	H6
B1		1.5351	2.6682	1.1977	1.1977	1.1977
C2	1.5351		1.1332	2.1625	2.1625	2.1625
O3	2.6682	1.1332		3.1769	3.1769	3.1769
H4	1.1977	2.1625	3.1769		2.0135	2.0135
H5	1.1977	2.1625	3.1769	2.0135		2.0135
H6	1.1977	2.1625	3.1769	2.0135	2.0135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.932
C2	B1	H5	103.932	C2	B1	H6	103.932
H4	B1	H5	114.396	H4	B1	H6	114.396
H5	B1	H6	114.397

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

using model chemistry: MP2=FULL/daug-cc-pVTZ

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: MP2=FULL/daug-cc-pVTZ

States and conformations

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