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	hartrees
Energy at 0K	-139.857361
Energy at 298.15K	-139.859672
HF Energy	-139.195395
Nuclear repulsion energy	56.705018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2517	2517	4.51
2	A₁	2344	2344	411.21
3	A₁	1130	1130	20.97
4	A₁	696	696	30.21
5	E	2598	2598	56.25
5	E	2598	2598	56.25
6	E	1166	1166	0.12
6	E	1166	1166	0.12
7	E	857	857	1.90
7	E	857	857	1.90
8	E	316	316	9.84
8	E	316	316	9.84

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.354
C2	0.000	0.000	0.197
O3	0.000	0.000	1.313
H4	0.000	1.166	-1.640
H5	1.010	-0.583	-1.640
H6	-1.010	-0.583	-1.640

	B1	C2	O3	H4	H5	H6
B1		1.5502	2.6668	1.2005	1.2005	1.2005
C2	1.5502		1.1166	2.1751	2.1751	2.1751
O3	2.6668	1.1166		3.1746	3.1746	3.1746
H4	1.2005	2.1751	3.1746		2.0194	2.0194
H5	1.2005	2.1751	3.1746	2.0194		2.0194
H6	1.2005	2.1751	3.1746	2.0194	2.0194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.783
C2	B1	H5	103.783	C2	B1	H6	103.783
H4	B1	H5	114.510	H4	B1	H6	114.510
H5	B1	H6	114.510

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

using model chemistry: MP3=FULL/cc-pCVTZ

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: MP3=FULL/cc-pCVTZ

States and conformations

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