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	hartrees
Energy at 0K	-139.578437
Energy at 298.15K	-139.580717
HF Energy	-139.155129
Nuclear repulsion energy	56.000360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2507	2507	7.79
2	A₁	2337	2337	375.46
3	A₁	1120	1120	27.11
4	A₁	670	670	22.16
5	E	2597	2597	64.07
5	E	2597	2597	64.07
6	E	1154	1154	0.09
6	E	1154	1154	0.09
7	E	852	852	0.56
7	E	852	852	0.56
8	E	308	308	12.09
8	E	308	308	12.09

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.375
C2	0.000	0.000	0.204
O3	0.000	0.000	1.329
H4	0.000	1.183	-1.660
H5	1.025	-0.592	-1.660
H6	-1.025	-0.592	-1.660

	B1	C2	O3	H4	H5	H6
B1		1.5791	2.7050	1.2171	1.2171	1.2171
C2	1.5791		1.1259	2.2076	2.2076	2.2076
O3	2.7050	1.1259		3.2152	3.2152	3.2152
H4	1.2171	2.2076	3.2152		2.0496	2.0496
H5	1.2171	2.2076	3.2152	2.0496		2.0496
H6	1.2171	2.2076	3.2152	2.0496	2.0496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.521
C2	B1	H5	103.521	C2	B1	H6	103.521
H4	B1	H5	114.709	H4	B1	H6	114.709
H5	B1	H6	114.709

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

using model chemistry: MP3/cc-pCVDZ

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: MP3/cc-pCVDZ

States and conformations

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