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	hartrees
Energy at 0K	-137.519662
Energy at 298.15K
HF Energy	-137.324419
Nuclear repulsion energy	54.243929

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	2917	2593	0.02	63.02	0.00	0.01
2	A₁	2106	1872	6.17	60.91	0.25	0.40
3	A₁	1357	1207	71.66	24.55	0.48	0.65
4	A₁	620	552	19.50	2.21	0.27	0.42
5	E	3091	2748	9.16	41.33	0.75	0.86
5	E	3091	2748	9.16	41.33	0.75	0.86
6	E	1429	1270	3.61	18.10	0.75	0.86
6	E	1429	1270	3.61	18.10	0.75	0.86
7	E	1029	915	0.01	0.02	0.75	0.86
7	E	1029	915	0.01	0.02	0.75	0.86
8	E	280	249	7.54	0.02	0.75	0.86
8	E	280	249	7.54	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.426
C2	0.000	0.000	0.192
O3	0.000	0.000	1.388
H4	0.000	1.143	-1.709
H5	0.990	-0.571	-1.709
H6	-0.990	-0.571	-1.709

	B1	C2	O3	H4	H5	H6
B1		1.6183	2.8149	1.1771	1.1771	1.1771
C2	1.6183		1.1966	2.2179	2.2179	2.2179
O3	2.8149	1.1966		3.3015	3.3015	3.3015
H4	1.1771	2.2179	3.3015		1.9793	1.9793
H5	1.1771	2.2179	3.3015	1.9793		1.9793
H6	1.1771	2.2179	3.3015	1.9793	1.9793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.889
C2	B1	H5	103.889	C2	B1	H6	103.889
H4	B1	H5	114.429	H4	B1	H6	114.429
H5	B1	H6	114.429

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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