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	hartrees
Energy at 0K	-139.825127
Energy at 298.15K
HF Energy	-139.202236
Nuclear repulsion energy	56.599058

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	2521	2411	1.50	299.15	0.00	0.00
2	A₁	2176	2081	305.81	134.86	0.27	0.42
3	A₁	1121	1072	11.81	21.19	0.31	0.47
4	A₁	733	701	40.26	2.58	0.01	0.03
5	E	2614	2500	48.09	102.01	0.75	0.86
5	E	2614	2500	48.09	102.01	0.75	0.86
6	E	1160	1109	0.05	9.47	0.75	0.86
6	E	1160	1109	0.05	9.47	0.75	0.86
7	E	837	800	2.46	1.25	0.75	0.86
7	E	837	800	2.46	1.25	0.75	0.86
8	E	311	297	6.14	0.60	0.75	0.86
8	E	311	297	6.14	0.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.346
C2	0.000	0.000	0.184
O3	0.000	0.000	1.316
H4	0.000	1.163	-1.634
H5	1.007	-0.581	-1.634
H6	-1.007	-0.581	-1.634

	B1	C2	O3	H4	H5	H6
B1		1.5299	2.6620	1.1979	1.1979	1.1979
C2	1.5299		1.1321	2.1576	2.1576	2.1576
O3	2.6620	1.1321		3.1705	3.1705	3.1705
H4	1.1979	2.1576	3.1705		2.0142	2.0142
H5	1.1979	2.1576	3.1705	2.0142		2.0142
H6	1.1979	2.1576	3.1705	2.0142	2.0142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.886
C2	B1	H5	103.886	C2	B1	H6	103.886
H4	B1	H5	114.431	H4	B1	H6	114.431
H5	B1	H6	114.431

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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