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	hartrees
Energy at 0K	-139.664334
Energy at 298.15K
HF Energy	-139.175062
Nuclear repulsion energy	56.161758

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	2515	2386	4.38	226.00	0.00	0.00
2	A₁	2184	2072	256.09	126.78	0.31	0.47
3	A₁	1128	1070	15.13	24.15	0.51	0.68
4	A₁	707	671	35.36	0.51	0.01	0.01
5	E	2600	2467	56.80	109.53	0.75	0.86
5	E	2600	2467	56.80	109.53	0.75	0.86
6	E	1166	1106	0.01	21.17	0.75	0.86
6	E	1166	1106	0.01	21.17	0.75	0.86
7	E	847	803	0.88	0.34	0.75	0.86
7	E	847	803	0.88	0.34	0.75	0.86
8	E	313	296	9.16	0.31	0.75	0.86
8	E	313	296	9.16	0.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.360
C2	0.000	0.000	0.191
O3	0.000	0.000	1.327
H4	0.000	1.168	-1.653
H5	1.012	-0.584	-1.653
H6	-1.012	-0.584	-1.653

	B1	C2	O3	H4	H5	H6
B1		1.5511	2.6878	1.2043	1.2043	1.2043
C2	1.5511		1.1367	2.1828	2.1828	2.1828
O3	2.6878	1.1367		3.2014	3.2014	3.2014
H4	1.2043	2.1828	3.2014		2.0234	2.0234
H5	1.2043	2.1828	3.2014	2.0234		2.0234
H6	1.2043	2.1828	3.2014	2.0234	2.0234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.071
C2	B1	H5	104.071	C2	B1	H6	104.071
H4	B1	H5	114.289	H4	B1	H6	114.289
H5	B1	H6	114.289

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

using model chemistry: MP2=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: MP2=FULL/6-311G**

States and conformations

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