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	hartrees
Energy at 0K	-139.007901
Energy at 298.15K
HF Energy	-138.904974
Nuclear repulsion energy	55.660526

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	2521	2521	0.47	172.23	0.00	0.00
2	A₁	2087	2087	280.91	74.51	0.27	0.42
3	A₁	1122	1122	0.08	35.39	0.63	0.77
4	A₁	736	736	27.27	1.40	0.15	0.26
5	E	2593	2593	29.52	97.74	0.75	0.86
5	E	2593	2593	29.52	97.74	0.75	0.86
6	E	1153	1153	1.22	26.94	0.75	0.86
6	E	1153	1153	1.22	26.94	0.75	0.86
7	E	869	869	1.63	0.11	0.75	0.86
7	E	869	869	1.63	0.11	0.75	0.86
8	E	345	345	11.58	0.32	0.75	0.86
8	E	345	345	11.58	0.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.358
C2	0.000	0.000	0.184
O3	0.000	0.000	1.342
H4	0.000	1.165	-1.683
H5	1.009	-0.582	-1.683
H6	-1.009	-0.582	-1.683

	B1	C2	O3	H4	H5	H6
B1		1.5420	2.7003	1.2093	1.2093	1.2093
C2	1.5420		1.1583	2.2007	2.2007	2.2007
O3	2.7003	1.1583		3.2419	3.2419	3.2419
H4	1.2093	2.2007	3.2419		2.0174	2.0174
H5	1.2093	2.2007	3.2419	2.0174		2.0174
H6	1.2093	2.2007	3.2419	2.0174	2.0174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	105.600
C2	B1	H5	105.600	C2	B1	H6	105.600
H4	B1	H5	113.050	H4	B1	H6	113.050
H5	B1	H6	113.050

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

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