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	hartrees
Energy at 0K	-139.018977
Energy at 298.15K
HF Energy	-139.018977
Nuclear repulsion energy	56.084496

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	2503	2404	0.21	170.82	0.00	0.00
2	A₁	2165	2079	398.14	44.00	0.29	0.45
3	A₁	1091	1048	3.16	24.42	0.72	0.84
4	A₁	810	778	23.02	6.86	0.26	0.41
5	E	2583	2481	16.68	94.42	0.75	0.86
5	E	2583	2481	16.68	94.42	0.75	0.86
6	E	1122	1078	2.35	25.31	0.75	0.86
6	E	1122	1078	2.35	25.31	0.75	0.86
7	E	837	804	5.77	0.20	0.75	0.86
7	E	837	804	5.77	0.20	0.75	0.86
8	E	348	334	9.01	0.39	0.75	0.86
8	E	348	334	9.01	0.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.336
C2	0.000	0.000	0.177
O3	0.000	0.000	1.330
H4	0.000	1.164	-1.675
H5	1.008	-0.582	-1.675
H6	-1.008	-0.582	-1.675

	B1	C2	O3	H4	H5	H6
B1		1.5135	2.6664	1.2128	1.2128	1.2128
C2	1.5135		1.1530	2.1878	2.1878	2.1878
O3	2.6664	1.1530		3.2229	3.2229	3.2229
H4	1.2128	2.1878	3.2229		2.0169	2.0169
H5	1.2128	2.1878	3.2229	2.0169		2.0169
H6	1.2128	2.1878	3.2229	2.0169	2.0169

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

using model chemistry: PBE1PBE/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: PBE1PBE/3-21G

States and conformations

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