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	hartrees
Energy at 0K	-139.680124
Energy at 298.15K	-139.682420
HF Energy	-139.188540
Nuclear repulsion energy	56.563870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2530	2362	6.48
2	A₁	2361	2204	415.64
3	A₁	1144	1068	23.87
4	A₁	680	635	28.37
5	E	2616	2442	64.70
5	E	2616	2442	64.70
6	E	1177	1099	0.10
6	E	1177	1099	0.10
7	E	868	811	0.81
7	E	868	811	0.81
8	E	312	291	12.25
8	E	312	291	12.25

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.359
C2	0.000	0.000	0.199
O3	0.000	0.000	1.317
H4	0.000	1.166	-1.647
H5	1.010	-0.583	-1.647
H6	-1.010	-0.583	-1.647

	B1	C2	O3	H4	H5	H6
B1		1.5576	2.6759	1.2008	1.2008	1.2008
C2	1.5576		1.1183	2.1829	2.1829	2.1829
O3	2.6759	1.1183		3.1849	3.1849	3.1849
H4	1.2008	2.1829	3.1849		2.0192	2.0192
H5	1.2008	2.1829	3.1849	2.0192		2.0192
H6	1.2008	2.1829	3.1849	2.0192	2.0192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.875
C2	B1	H5	103.875	C2	B1	H6	103.875
H4	B1	H5	114.440	H4	B1	H6	114.440
H5	B1	H6	114.440

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

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

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