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	hartrees
Energy at 0K	-139.557132
Energy at 298.15K
HF Energy	-139.139293
Nuclear repulsion energy	55.989011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2520	2393	5.01
2	A₁	2266	2152	333.94
3	A₁	1136	1079	12.04
4	A₁	687	653	26.70
5	E	2602	2471	51.58
5	E	2602	2471	51.58
6	E	1157	1099	0.02
6	E	1157	1099	0.02
7	E	864	821	1.08
7	E	864	821	1.08
8	E	312	296	13.94
8	E	312	296	13.94

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.367
C2	0.000	0.000	0.194
O3	0.000	0.000	1.331
H4	0.000	1.174	-1.658
H5	1.016	-0.587	-1.658
H6	-1.016	-0.587	-1.658

	B1	C2	O3	H4	H5	H6
B1		1.5608	2.6983	1.2093	1.2093	1.2093
C2	1.5608		1.1376	2.1924	2.1924	2.1924
O3	2.6983	1.1376		3.2115	3.2115	3.2115
H4	1.2093	2.1924	3.2115		2.0329	2.0329
H5	1.2093	2.1924	3.2115	2.0329		2.0329
H6	1.2093	2.1924	3.2115	2.0329	2.0329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.926
C2	B1	H5	103.926	C2	B1	H6	103.926
H4	B1	H5	114.401	H4	B1	H6	114.401
H5	B1	H6	114.401

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

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

States and conformations

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