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	hartrees
Energy at 0K	-139.822462
Energy at 298.15K
HF Energy	-139.686750
Nuclear repulsion energy	56.123699

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	2524	2393	2.37	169.65	0.00	0.00
2	A₁	2186	2073	365.17	87.23	0.27	0.43
3	A₁	1118	1060	3.88	27.76	0.59	0.74
4	A₁	731	693	30.70	2.21	0.18	0.31
5	E	2598	2464	44.96	99.85	0.75	0.86
5	E	2598	2464	44.96	99.86	0.75	0.86
6	E	1147	1088	0.02	24.77	0.75	0.86
6	E	1147	1088	0.02	24.77	0.75	0.86
7	E	846	802	2.60	0.06	0.75	0.86
7	E	846	802	2.60	0.06	0.75	0.86
8	E	306	291	9.64	0.34	0.75	0.86
8	E	306	291	9.64	0.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.354
C2	0.000	0.000	0.185
O3	0.000	0.000	1.328
H4	0.000	1.169	-1.655
H5	1.012	-0.584	-1.655
H6	-1.012	-0.584	-1.655

	B1	C2	O3	H4	H5	H6
B1		1.5392	2.6822	1.2068	1.2068	1.2068
C2	1.5392		1.1430	2.1798	2.1798	2.1798
O3	2.6822	1.1430		3.2038	3.2038	3.2038
H4	1.2068	2.1798	3.2038		2.0242	2.0242
H5	1.2068	2.1798	3.2038	2.0242		2.0242
H6	1.2068	2.1798	3.2038	2.0242	2.0242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.435
C2	B1	H5	104.435	C2	B1	H6	104.435
H4	B1	H5	114.003	H4	B1	H6	114.003
H5	B1	H6	114.003

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

using model chemistry: B2PLYP=FULL/6-31G*

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: B2PLYP=FULL/6-31G*

States and conformations

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