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	hartrees
Energy at 0K	-138.644557
Energy at 298.15K
HF Energy	-138.349804
Nuclear repulsion energy	55.112163

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	2527	2412	3.55	170.51	0.00	0.00
2	A₁	2057	1964	140.35	122.02	0.28	0.43
3	A₁	1157	1105	7.90	39.95	0.60	0.75
4	A₁	661	631	25.22	0.81	0.58	0.73
5	E	2607	2489	43.27	91.03	0.75	0.86
5	E	2607	2489	43.27	91.03	0.75	0.86
6	E	1179	1125	0.47	28.37	0.75	0.86
6	E	1179	1125	0.47	28.37	0.75	0.86
7	E	897	856	0.00	0.12	0.75	0.86
7	E	897	856	0.00	0.12	0.75	0.86
8	E	335	319	13.37	0.42	0.75	0.86
8	E	335	319	13.37	0.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.385
C2	0.000	0.000	0.193
O3	0.000	0.000	1.357
H4	0.000	1.172	-1.695
H5	1.015	-0.586	-1.695
H6	-1.015	-0.586	-1.695

	B1	C2	O3	H4	H5	H6
B1		1.5774	2.7411	1.2126	1.2126	1.2126
C2	1.5774		1.1637	2.2224	2.2224	2.2224
O3	2.7411	1.1637		3.2693	3.2693	3.2693
H4	1.2126	2.2224	3.2693		2.0300	2.0300
H5	1.2126	2.2224	3.2693	2.0300		2.0300
H6	1.2126	2.2224	3.2693	2.0300	2.0300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.857
C2	B1	H5	104.857	C2	B1	H6	104.857
H4	B1	H5	113.665	H4	B1	H6	113.665
H5	B1	H6	113.665

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

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

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