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	hartrees
Energy at 0K	-139.879385
Energy at 298.15K
HF Energy	-139.722579
Nuclear repulsion energy	56.383232

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	2475	2475	2.84	211.12	0.00	0.00
2	A₁	2189	2189	390.56	90.71	0.31	0.48
3	A₁	1100	1100	4.29	23.35	0.55	0.71
4	A₁	730	730	31.70	3.10	0.10	0.18
5	E	2547	2547	49.23	116.20	0.75	0.86
5	E	2547	2547	49.23	116.21	0.75	0.86
6	E	1132	1132	0.02	21.23	0.75	0.86
6	E	1132	1132	0.02	21.23	0.75	0.86
7	E	841	841	2.38	0.20	0.75	0.86
7	E	841	841	2.38	0.20	0.75	0.86
8	E	313	313	8.21	0.27	0.75	0.86
8	E	313	313	8.21	0.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.348
C2	0.000	0.000	0.188
O3	0.000	0.000	1.321
H4	0.000	1.168	-1.653
H5	1.011	-0.584	-1.653
H6	-1.011	-0.584	-1.653

	B1	C2	O3	H4	H5	H6
B1		1.5366	2.6698	1.2065	1.2065	1.2065
C2	1.5366		1.1332	2.1800	2.1800	2.1800
O3	2.6698	1.1332		3.1951	3.1951	3.1951
H4	1.2065	2.1800	3.1951		2.0222	2.0222
H5	1.2065	2.1800	3.1951	2.0222		2.0222
H6	1.2065	2.1800	3.1951	2.0222	2.0222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.615
C2	B1	H5	104.615	C2	B1	H6	104.615
H4	B1	H5	113.860	H4	B1	H6	113.860
H5	B1	H6	113.860

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-311G*

States and conformations

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