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	hartrees
Energy at 0K	-139.830805
Energy at 298.15K
HF Energy	-139.689467
Nuclear repulsion energy	56.149382

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	2523	2523	2.30	172.56	0.00	0.00
2	A₁	2187	2187	360.18	86.54	0.27	0.43
3	A₁	1117	1117	5.62	26.52	0.59	0.74
4	A₁	726	726	30.88	2.23	0.18	0.31
5	E	2600	2600	45.07	97.87	0.75	0.86
5	E	2600	2600	45.07	97.87	0.75	0.86
6	E	1150	1150	0.02	24.04	0.75	0.86
6	E	1150	1150	0.02	24.03	0.75	0.86
7	E	841	841	2.53	0.08	0.75	0.86
7	E	841	841	2.53	0.08	0.75	0.86
8	E	302	302	9.69	0.34	0.75	0.86
8	E	302	302	9.69	0.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.355
C2	0.000	0.000	0.185
O3	0.000	0.000	1.328
H4	0.000	1.167	-1.652
H5	1.010	-0.583	-1.652
H6	-1.010	-0.583	-1.652

	B1	C2	O3	H4	H5	H6
B1		1.5402	2.6831	1.2036	1.2036	1.2036
C2	1.5402		1.1429	2.1757	2.1757	2.1757
O3	2.6831	1.1429		3.1996	3.1996	3.1996
H4	1.2036	2.1757	3.1996		2.0205	2.0205
H5	1.2036	2.1757	3.1996	2.0205		2.0205
H6	1.2036	2.1757	3.1996	2.0205	2.0205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.252
C2	B1	H5	104.252	C2	B1	H6	104.252
H4	B1	H5	114.147	H4	B1	H6	114.147
H5	B1	H6	114.147

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)