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	hartrees
Energy at 0K	-139.929104
Energy at 298.15K
HF Energy	-139.747077
Nuclear repulsion energy	56.579275

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	2496	2496	1.77	255.40	0.00	0.00
2	A₁	2183	2183	400.68	94.09	0.30	0.46
3	A₁	1109	1109	6.12	19.69	0.44	0.61
4	A₁	735	735	33.60	4.75	0.08	0.15
5	E	2566	2566	48.66	106.93	0.75	0.86
5	E	2566	2566	48.67	106.94	0.75	0.86
6	E	1140	1140	0.01	12.32	0.75	0.86
6	E	1140	1140	0.01	12.32	0.75	0.86
7	E	834	834	3.30	0.65	0.75	0.86
7	E	834	834	3.30	0.65	0.75	0.86
8	E	308	308	6.38	0.35	0.75	0.86
8	E	308	308	6.38	0.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.344
C2	0.000	0.000	0.186
O3	0.000	0.000	1.317
H4	0.000	1.164	-1.643
H5	1.008	-0.582	-1.643
H6	-1.008	-0.582	-1.643

	B1	C2	O3	H4	H5	H6
B1		1.5292	2.6601	1.2017	1.2017	1.2017
C2	1.5292		1.1310	2.1675	2.1675	2.1675
O3	2.6601	1.1310		3.1801	3.1801	3.1801
H4	1.2017	2.1675	3.1801		2.0157	2.0157
H5	1.2017	2.1675	3.1801	2.0157		2.0157
H6	1.2017	2.1675	3.1801	2.0157	2.0157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.426
C2	B1	H5	104.426	C2	B1	H6	104.426
H4	B1	H5	114.011	H4	B1	H6	114.011
H5	B1	H6	114.011

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

using model chemistry: B2PLYP=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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